UCSF

ZINC32112419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 0.34 -0.75 -11.18 2 6 0 92 262.331 5
Hi High (pH 8-9.5) 0.34 -1.07 -38.48 1 6 -1 95 261.323 5

Activity (Go SEA)

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