UCSF

ZINC28540001

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 19 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) 3.83 9.43 -10.87 0 3 0 30 271.389 3
Lo Low (pH 4.5-6) 3.83 9.87 -24.88 1 3 1 31 272.397 3

Activity (Go SEA)

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