UCSF

ZINC37980870

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 15 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) 0.36 2.01 -39.09 2 5 1 55 213.305 7
Hi High (pH 8-9.5) 0.36 -0.11 -5.95 1 5 0 54 212.297 7
Mid Mid (pH 6-8) 0.36 1.21 -46.17 2 5 1 59 213.305 7
Mid Mid (pH 6-8) 0.36 3.37 -120.7 3 5 2 60 214.313 7

Activity (Go SEA)

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