UCSF

ZINC29807905

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 18 No

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) 0.37 0.94 -14.51 2 6 0 79 253.302 2
Hi High (pH 8-9.5) 0.55 -0.86 -44.03 1 6 -1 85 252.294 2

Activity (Go SEA)

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