UCSF

ZINC42767686

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.41 3.8 -30.65 4 3 1 55 260.283 6
Mid Mid (pH 6-8) 1.41 5.82 -88.06 5 3 2 56 261.291 6

Activity (Go SEA)

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