UCSF

ZINC41681622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.70 5.85 -91.6 3 3 2 24 229.412 8
Hi High (pH 8-9.5) 1.70 6.58 -105.78 3 3 2 21 229.412 8
Hi High (pH 8-9.5) 1.70 4.13 -33.4 2 3 1 20 228.404 8
Mid Mid (pH 6-8) 1.70 5.5 -104.07 3 3 2 24 229.412 8

Activity (Go SEA)

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