UCSF

ZINC37335416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 3.98 10.7 -31.39 1 2 1 22 260.401 7
Hi High (pH 8-9.5) 3.98 8.76 -5.41 0 2 0 20 259.393 7

Activity (Go SEA)

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