UCSF

ZINC47608114

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.20 4.35 -12.48 1 4 0 55 241.294 4
Lo Low (pH 4.5-6) 0.20 4.79 -35.27 2 4 1 56 242.302 4

Activity (Go SEA)

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