UCSF

ZINC32751151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 17 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) 1.21 2.15 -56.53 4 4 1 69 241.286 6
Hi High (pH 8-9.5) 1.21 0.9 -14.38 3 4 0 64 240.278 6

Activity (Go SEA)

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