UCSF

ZINC34672795

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 17 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) 4.75 9.41 -36.97 2 1 1 17 246.399 5
Hi High (pH 8-9.5) 4.75 8.22 -3.55 1 1 0 12 245.391 5

Activity (Go SEA)

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