UCSF

ZINC19834772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.01 2.1 -51.19 4 4 1 60 236.339 6
Hi High (pH 8-9.5) 1.01 4.05 -42.35 4 4 1 60 236.339 6
Hi High (pH 8-9.5) 1.01 1.74 -11.35 3 4 0 58 235.331 6
Mid Mid (pH 6-8) 1.01 4.43 -112.58 5 4 2 61 237.347 6

Activity (Go SEA)

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