UCSF

ZINC36193518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -1.10 1.84 -43.92 4 4 1 60 218.28 1
Mid Mid (pH 6-8) -1.10 1.53 -6.96 3 4 0 58 217.272 1
Mid Mid (pH 6-8) -1.10 1.53 -5.44 3 4 0 58 217.272 1

Activity (Go SEA)

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