UCSF

ZINC37023792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.42 5.28 -39.88 4 4 1 60 274.388 3
Mid Mid (pH 6-8) -0.42 5.6 -98.19 5 4 2 61 275.396 3

Activity (Go SEA)

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