UCSF

ZINC22914171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 3.34 11.91 -48.7 1 6 1 46 430.576 6
Hi High (pH 8-9.5) 3.34 9.37 -11.61 0 6 0 45 429.568 6

Activity (Go SEA)

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