UCSF

ZINC37839232

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.57 8.21 -45.48 1 4 1 42 241.355 4
Hi High (pH 8-9.5) 0.58 7.16 -62.35 1 4 0 48 240.347 4

Activity (Go SEA)

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