UCSF

ZINC20096544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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 8.45 -36.09 2 4 1 34 285.415 6
Lo Low (pH 4.5-6) 1.89 9.69 -125.15 3 4 2 39 286.423 6

Activity (Go SEA)

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