UCSF

ZINC22875596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.70 4.87 -29.89 2 4 1 39 272.372 4
Hi High (pH 8-9.5) 2.70 4.44 -8.41 1 4 0 37 271.364 4
Mid Mid (pH 6-8) 2.70 7.22 -97.42 3 4 2 40 273.38 4

Activity (Go SEA)

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