UCSF

ZINC34660163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 0.54 3.56 -69.07 4 7 1 115 254.266 6
Hi High (pH 8-9.5) 0.54 2.12 -22.51 3 7 0 110 253.258 6

Activity (Go SEA)

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