UCSF

ZINC45113042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 16 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) 0.47 0.73 -8.69 4 6 0 93 226.28 7
Mid Mid (pH 6-8) 0.47 0.75 -11.95 4 6 0 93 226.28 7

Activity (Go SEA)

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