UCSF

ZINC48581645

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 Yes

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) 0.71 3.31 -37.2 2 5 1 48 272.413 8
Mid Mid (pH 6-8) 0.71 3.48 -34.54 2 5 1 48 272.413 8
Mid Mid (pH 6-8) 0.71 1.13 -9.42 1 5 0 47 271.405 8

Activity (Go SEA)

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