UCSF

ZINC33361108

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 28 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) 3.63 9.95 -59.98 3 6 1 79 417.942 5
Mid Mid (pH 6-8) 3.63 7.71 -18.2 2 6 0 78 416.934 5

Activity (Go SEA)

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