UCSF

ZINC21995539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 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) 1.12 5.93 -9.2 0 2 0 34 174.199 1
Hi High (pH 8-9.5) 1.41 6 -37.69 0 2 -1 40 173.191 1

Activity (Go SEA)

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