UCSF

ZINC33048039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2009 23 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) 2.43 2.18 -15.86 2 6 0 92 358.416 5
Mid Mid (pH 6-8) 2.43 2.25 -41.87 1 6 -1 94 357.408 5
Mid Mid (pH 6-8) 2.43 2.25 -43.91 1 6 -1 94 357.408 5

Activity (Go SEA)

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