UCSF

ZINC05342761

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 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) 2.77 3.99 -10.63 3 6 0 89 369.808 4
Hi High (pH 8-9.5) 2.74 3.77 -57.29 1 6 -1 88 368.8 4
Hi High (pH 8-9.5) 2.74 4.36 -55.44 1 6 -1 88 368.8 4
Hi High (pH 8-9.5) 2.77 4.8 -47.42 2 6 -1 92 368.8 4
Mid Mid (pH 6-8) 2.77 4.76 -50.78 2 6 -1 92 368.8 4

Activity (Go SEA)

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