UCSF

ZINC49552092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 3.59 -23.87 1 10 0 144 493.587 6
Hi High (pH 8-9.5) 1.76 2.94 -213.6 0 10 -3 152 491.571 6
Mid Mid (pH 6-8) 1.18 2.99 -24.17 1 10 0 144 493.587 6
Mid Mid (pH 6-8) 1.18 3.16 -20.91 0 10 0 146 492.579 6
Lo Low (pH 4.5-6) 1.18 3.42 -22.67 2 10 0 142 494.595 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 120 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 120 0.29 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )