UCSF

ZINC20148939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 0.74 2.23 -46.28 4 4 1 66 237.323 6
Hi High (pH 8-9.5) 0.74 3.02 -50.16 3 4 0 69 236.315 6
Hi High (pH 8-9.5) 0.74 1.07 -12.96 3 4 0 61 236.315 6

Activity (Go SEA)

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