UCSF

ZINC45691248

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.92 5.68 -7.28 0 3 0 36 236.359 1
Mid Mid (pH 6-8) 2.92 7.34 -40.92 1 3 1 37 237.367 1

Activity (Go SEA)

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