UCSF

ZINC22586641

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 23 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) 4.02 7.89 -39.88 2 3 1 28 352.285 4
Hi High (pH 8-9.5) 4.02 6.37 -34.93 0 3 -1 30 350.269 4
Mid Mid (pH 6-8) 4.02 5.61 -4.03 1 3 0 27 351.277 4
Mid Mid (pH 6-8) 4.02 7.86 -36.4 2 3 1 28 352.285 4

Activity (Go SEA)

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