UCSF

ZINC61992599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 16 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) 1.83 2.88 -37.71 3 3 1 40 221.324 6
Hi High (pH 8-9.5) 1.83 3.63 -33.06 2 3 0 43 220.316 6
Mid Mid (pH 6-8) 1.83 3.78 -33.21 3 3 1 37 221.324 6
Mid Mid (pH 6-8) 1.83 5.17 -110.37 4 3 2 41 222.332 6

Activity (Go SEA)

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