UCSF

ZINC57512303

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 25 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) 1.78 7.93 -12.58 0 6 0 59 340.427 6
Lo Low (pH 4.5-6) 1.78 8.67 -27.83 1 6 0 60 341.435 6

Activity (Go SEA)

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