UCSF

ZINC47858824

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 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) 1.86 8.68 -40.52 1 4 1 44 245.35 3
Mid Mid (pH 6-8) 1.86 6.74 -5.05 0 4 0 43 244.342 3

Activity (Go SEA)

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