UCSF

ZINC23359429

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 19 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) 3.24 8.5 -38.45 1 2 1 8 279.835 3
Hi High (pH 8-9.5) 3.24 6.28 -2 0 2 0 6 278.827 3
Mid Mid (pH 6-8) 3.24 8.7 -34.23 1 2 1 8 279.835 3
Lo Low (pH 4.5-6) 3.24 10.92 -112.88 2 2 2 9 280.843 3

Activity (Go SEA)

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