UCSF

ZINC43419857

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.85 7.34 -55.09 0 6 -1 93 247.278 6
Lo Low (pH 4.5-6) 0.85 7.35 -47.81 1 6 0 94 248.286 6

Activity (Go SEA)

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