UCSF

ZINC13222816

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 13 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) 1.41 6.47 -36.34 1 2 1 17 177.271 2
Lo Low (pH 4.5-6) 1.41 6.75 -95.6 2 2 2 19 178.279 2

Activity (Go SEA)

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