UCSF

ZINC20473570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.87 6.42 -48.43 2 3 1 43 212.244 6
Mid Mid (pH 6-8) 1.87 5.02 -7.2 1 3 0 38 211.236 6

Activity (Go SEA)

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