UCSF

ZINC20462703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 30 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) 5.15 13.79 -125.06 2 4 2 27 410.602 9
Hi High (pH 8-9.5) 5.15 11.88 -37.49 1 4 1 26 409.594 9
Mid Mid (pH 6-8) 5.15 11.81 -40.77 1 4 1 26 409.594 9

Activity (Go SEA)

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