UCSF

ZINC22223522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 3.37 7.12 -35.13 2 2 1 16 262.204 5
Hi High (pH 8-9.5) 3.37 5.85 -39.52 2 2 1 20 262.204 5
Hi High (pH 8-9.5) 3.37 4.71 -2.11 1 2 0 15 261.196 5

Activity (Go SEA)

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