UCSF

ZINC13226807

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 1.89 3.61 -14.8 1 5 0 75 253.261 3
Lo Low (pH 4.5-6) 1.89 4.34 -43.94 2 5 1 76 254.269 3

Activity (Go SEA)

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