UCSF

ZINC36985251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) 0.73 6.03 -37.39 2 3 0 57 262.078 4
Hi High (pH 8-9.5) 0.73 4.66 -44.66 1 3 -1 52 261.07 4

Activity (Go SEA)

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