UCSF

ZINC09272531

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 5.15 14.04 -46.99 2 6 1 71 479.641 11
Mid Mid (pH 6-8) 4.57 14.84 -57.1 1 6 1 68 479.641 11

Activity (Go SEA)

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