UCSF

ZINC32199239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 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) 3.33 7.17 -3.12 0 1 0 3 175.275 0
Mid Mid (pH 6-8) 3.33 7.33 -28.25 1 1 1 4 176.283 0

Activity (Go SEA)

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