UCSF

ZINC42434255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 0.42 4.92 -60.96 1 5 -1 81 254.306 4
Lo Low (pH 4.5-6) 0.42 2.41 -13.58 2 5 0 78 255.314 4

Activity (Go SEA)

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