UCSF

ZINC12536973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.69 6.3 -10.75 1 3 0 42 270.357 3
Lo Low (pH 4.5-6) 1.69 6.58 -38.89 2 3 1 43 271.365 3

Activity (Go SEA)

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