UCSF

ZINC42946785

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 1.15 1.72 -41.97 4 4 1 60 287.811 7
Mid Mid (pH 6-8) 1.15 3.23 -123.35 5 4 2 62 288.819 7

Activity (Go SEA)

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