UCSF

ZINC06753025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 1.45 0.24 -17.27 4 8 0 119 381.388 5
Mid Mid (pH 6-8) 1.45 1.01 -56.24 3 8 -1 122 380.38 5

Activity (Go SEA)

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