UCSF

ZINC22074952

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) 4.18 7.32 -42.45 2 3 1 29 409.186 9
Hi High (pH 8-9.5) 4.18 5.98 -2.55 1 3 0 24 408.178 9
Mid Mid (pH 6-8) 4.18 8.77 -38.08 2 3 1 26 409.186 9
Mid Mid (pH 6-8) 4.18 9.53 -118.41 3 3 2 30 410.194 9

Activity (Go SEA)

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