UCSF

ZINC34652791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 1.52 8.01 -37.13 1 4 1 52 228.275 4
Mid Mid (pH 6-8) 1.52 7.53 -10.57 0 4 0 51 227.267 4

Activity (Go SEA)

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