UCSF

ZINC39972714

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 25 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) 3.02 7.88 -13.62 0 6 0 52 382.917 8
Mid Mid (pH 6-8) 3.02 10.15 -46.35 1 6 1 54 383.925 8

Activity (Go SEA)

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