UCSF

ZINC41532623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 17 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) 1.12 6.09 -35.79 2 4 1 48 230.291 3
Mid Mid (pH 6-8) 1.12 5.63 -11.1 1 4 0 47 229.283 3

Activity (Go SEA)

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