UCSF

ZINC32233905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.95 8.42 -5.29 0 1 0 13 197.281 2
Mid Mid (pH 6-8) 3.95 8.76 -27.76 1 1 1 14 198.289 2

Activity (Go SEA)

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