UCSF

ZINC35476199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 1.87 5.42 -9.45 2 4 0 58 241.294 1
Mid Mid (pH 6-8) 1.87 5.36 -11.47 2 4 0 58 241.294 1

Activity (Go SEA)

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