UCSF

ZINC04425172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 20 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) 1.77 2.41 -9.14 1 6 0 102 272.308 2
Mid Mid (pH 6-8) 1.77 2.53 -10.79 0 6 0 101 271.3 2

Activity (Go SEA)

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