UCSF

ZINC33713330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 3.37 10.2 -57.14 2 6 1 71 458.991 5
Mid Mid (pH 6-8) 3.37 7.85 -18.11 1 6 0 70 457.983 5

Activity (Go SEA)

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