UCSF

ZINC22092719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 3.03 7.1 -52.04 3 4 1 59 290.412 6
Hi High (pH 8-9.5) 3.03 5.99 -14.57 2 4 0 54 289.404 6
Mid Mid (pH 6-8) 2.85 6.02 -32.46 2 4 0 65 289.404 6

Activity (Go SEA)

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