UCSF

ZINC21786967

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.45 11.82 -18.71 0 6 0 57 421.541 9
Mid Mid (pH 6-8) 4.45 12.31 -34.95 1 6 1 58 422.549 9

Activity (Go SEA)

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