UCSF

ZINC40191986

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 4.61 13.13 -11.06 1 4 0 47 383.495 8
Mid Mid (pH 6-8) 4.61 13.62 -34.17 2 4 1 48 384.503 8

Activity (Go SEA)

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