UCSF

ZINC37822831

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.60 2.22 -48.29 3 4 1 51 236.339 2
Mid Mid (pH 6-8) 0.60 2.02 -6.95 2 4 0 50 235.331 2
Lo Low (pH 4.5-6) 0.60 4.46 -109.27 4 4 2 52 237.347 2

Activity (Go SEA)

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