UCSF

ZINC59194858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 17 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) 2.77 2.62 -9.03 2 3 0 50 228.247 0
Mid Mid (pH 6-8) 2.77 3.38 -50.73 1 3 -1 53 227.239 0

Activity (Go SEA)

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