UCSF

ZINC05297804

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 28 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) 2.96 2.41 -10.95 0 11 0 157 391.336 7
Mid Mid (pH 6-8) 3.15 2.43 -10.11 0 11 0 156 391.336 7
Mid Mid (pH 6-8) 3.14 3.76 -12.48 0 11 0 156 391.336 7
Mid Mid (pH 6-8) 2.96 2.47 -11.29 0 11 0 156 391.336 7

Activity (Go SEA)

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