UCSF

ZINC09086378

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 3.56 9.27 -46.84 2 6 1 71 462.353 6
Mid Mid (pH 6-8) 2.98 9.92 -54.18 1 6 1 68 462.353 6

Activity (Go SEA)

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