UCSF

ZINC37187059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.26 4.5 -9.33 1 5 0 54 249.314 4
Mid Mid (pH 6-8) 2.26 4.99 -37.59 2 5 1 56 250.322 4

Activity (Go SEA)

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