UCSF

ZINC20381962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.92 4.8 -79.28 5 4 2 57 238.379 6
Hi High (pH 8-9.5) 1.92 2.05 -4.58 3 4 0 54 236.363 6
Hi High (pH 8-9.5) 1.92 4.3 -35.5 4 4 1 55 237.371 6
Hi High (pH 8-9.5) 1.92 2.76 -27.13 4 4 1 55 237.371 6

Activity (Go SEA)

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