UCSF

ZINC34186643

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 14 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) 0.52 2.52 -5.52 1 5 0 72 198.222 3
Hi High (pH 8-9.5) 0.98 -0.23 -36.9 0 5 -1 75 197.214 3

Activity (Go SEA)

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