UCSF

ZINC43415667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.93 7.06 -55.15 4 5 1 83 289.403 7
Mid Mid (pH 6-8) 1.93 5.46 -11.92 3 5 0 82 288.395 7

Activity (Go SEA)

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