UCSF

ZINC32005354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 9 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) 1.08 2.05 -37.48 2 2 1 26 130.211 0
Hi High (pH 8-9.5) 1.08 0.88 -2.46 1 2 0 21 129.203 0

Activity (Go SEA)

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