UCSF

ZINC43698539

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.62 6.92 -35.17 2 2 1 25 252.403 5
Mid Mid (pH 6-8) 2.62 4.97 -4.63 1 2 0 23 251.395 5

Activity (Go SEA)

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