UCSF

ZINC32014963

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.60 1.27 -39.2 3 4 1 55 226.296 7
Hi High (pH 8-9.5) 0.60 -0.24 -6.3 2 4 0 51 225.288 7

Activity (Go SEA)

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