UCSF

ZINC13209178

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 12 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) 1.16 5.82 -31.05 1 2 1 17 163.244 1
Lo Low (pH 4.5-6) 1.16 6.02 -92.78 2 2 2 19 164.252 1

Activity (Go SEA)

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