UCSF

ZINC22465040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 1.96 6.37 -49.24 2 6 1 56 353.446 5
Hi High (pH 8-9.5) 1.96 4.96 -13.4 1 6 0 51 352.438 5
Mid Mid (pH 6-8) 1.96 6.79 -87.12 3 6 2 57 354.454 5

Activity (Go SEA)

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