UCSF

ZINC52336811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 1.32 0.95 -50.49 3 4 1 71 262.395 3
Hi High (pH 8-9.5) 1.32 -0.04 -10.6 2 4 0 66 261.387 3

Activity (Go SEA)

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