UCSF

ZINC36878910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.39 5.66 -42.33 2 5 1 49 300.467 6
Hi High (pH 8-9.5) 2.39 4.19 -4.91 1 5 0 45 299.459 6
Mid Mid (pH 6-8) 2.39 6.57 -35.7 2 5 1 46 300.467 6
Mid Mid (pH 6-8) 2.39 7.8 -119.48 3 5 2 51 301.475 6

Activity (Go SEA)

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