UCSF

ZINC35752746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 15 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) 1.48 7.19 -39.36 1 3 1 31 228.337 6
Mid Mid (pH 6-8) 1.48 5.4 -6.47 0 3 0 30 227.329 6

Activity (Go SEA)

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