UCSF

ZINC32005763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 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) 0.19 0.95 -38.58 3 3 1 50 156.205 4
Hi High (pH 8-9.5) 0.19 -0.55 -6.69 2 3 0 45 155.197 4

Activity (Go SEA)

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