UCSF

ZINC35673766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -0.86 3.39 -35.6 4 6 0 109 251.286 5
Mid Mid (pH 6-8) -0.86 3.11 -51.99 3 6 -1 108 250.278 5

Activity (Go SEA)

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