UCSF

ZINC08834785

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.54 -1.41 -51.88 2 6 1 71 462.353 6
Mid Mid (pH 6-8) 2.95 -1.56 -61.02 1 6 1 68 462.353 6

Activity (Go SEA)

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