UCSF

ZINC37233682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 3.41 9.15 -110.52 3 3 2 34 364.271 6
Hi High (pH 8-9.5) 3.41 7.79 -35.49 2 3 1 30 363.263 6
Hi High (pH 8-9.5) 3.41 6.91 -43.27 2 3 1 33 363.263 6

Activity (Go SEA)

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