UCSF

ZINC20249205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 0.78 4.5 -52.06 1 6 -1 95 253.278 7
Lo Low (pH 4.5-6) 0.78 3.38 -15.5 2 6 0 92 254.286 7

Activity (Go SEA)

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