UCSF

ZINC20464167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 30 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) 4.22 7.68 -51.32 3 7 1 84 434.854 4
Mid Mid (pH 6-8) 4.22 5.18 -10.49 2 7 0 83 433.846 4

Activity (Go SEA)

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