UCSF

ZINC19912217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 2.36 6.38 -8.91 1 4 0 43 272.348 7
Lo Low (pH 4.5-6) 2.36 6.81 -43.35 2 4 1 45 273.356 7

Activity (Go SEA)

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