UCSF

ZINC04096001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 No

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) 0.45 -5.29 -14.37 6 8 0 148 320.253 1
Hi High (pH 8-9.5) 0.45 -5.02 -59.31 5 8 -1 151 319.245 1
Hi High (pH 8-9.5) 0.45 -4.37 -61.2 5 8 -1 151 319.245 1
Hi High (pH 8-9.5) 0.45 -4.57 -60.83 5 8 -1 151 319.245 1

Activity (Go SEA)

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