UCSF

ZINC34975802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.84 6.44 -6.15 3 3 0 55 270.163 3
Mid Mid (pH 6-8) 3.84 6.36 -5.98 3 3 0 55 270.163 3

Activity (Go SEA)

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