UCSF

ZINC46698440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 20 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) 0.85 1.85 -18.08 2 6 0 84 303.428 2
Mid Mid (pH 6-8) 0.85 2.33 -45.89 1 6 -1 81 302.42 2

Activity (Go SEA)

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