UCSF

ZINC19844776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.07 3.17 -52.57 2 5 0 76 210.233 5
Mid Mid (pH 6-8) 1.07 2.73 -48.71 1 5 -1 74 209.225 5

Activity (Go SEA)

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