UCSF

ZINC23373802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 3.09 7.22 -40.83 2 4 1 37 355.502 7
Mid Mid (pH 6-8) 3.09 5.26 -6.68 1 4 0 36 354.494 7
Mid Mid (pH 6-8) 3.09 7.42 -37.43 2 4 1 37 355.502 7

Activity (Go SEA)

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