UCSF

ZINC42782598

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.14 6.93 -114.07 1 7 -2 113 286.328 7
Lo Low (pH 4.5-6) 0.14 4.97 -57.98 2 7 -1 110 287.336 7

Activity (Go SEA)

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