UCSF

ZINC22586698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 30 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) 4.71 12.03 -41.27 1 4 1 26 401.53 6
Mid Mid (pH 6-8) 4.71 12.36 -45.93 1 4 1 26 401.53 6
Mid Mid (pH 6-8) 4.71 9.98 -7.22 0 4 0 25 400.522 6

Activity (Go SEA)

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