UCSF

ZINC27726244

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 30 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) 3.53 10.52 -53.85 2 6 1 70 405.522 7
Mid Mid (pH 6-8) 3.53 8.21 -14.13 1 6 0 69 404.514 7

Activity (Go SEA)

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