UCSF

ZINC44694453

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.83 7.71 -114.89 3 4 2 40 294.439 10
Hi High (pH 8-9.5) 1.83 4.01 -4.71 1 4 0 34 292.423 10
Mid Mid (pH 6-8) 1.83 6.49 -37.68 2 4 1 35 293.431 10
Lo Low (pH 4.5-6) 1.83 5.23 -37.91 2 4 1 38 293.431 10

Activity (Go SEA)

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