UCSF

ZINC34223952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 13 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) 1.94 4.59 -10.08 1 5 0 75 177.163 1
Hi High (pH 8-9.5) 1.94 4.46 -42.09 0 5 -1 73 176.155 1

Activity (Go SEA)

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