UCSF

ZINC37839282

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) 0.63 8.22 -19.32 0 4 0 61 230.267 4
Hi High (pH 8-9.5) 1.38 7.08 -52.25 0 4 -1 67 229.259 3

Activity (Go SEA)

Rings

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