UCSF

ZINC22936339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 18 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) 3.21 7.03 -41.07 2 2 1 20 247.406 6
Mid Mid (pH 6-8) 3.21 8.01 -31.49 2 2 1 16 247.406 6
Lo Low (pH 4.5-6) 3.21 9.35 -112.73 3 2 2 21 248.414 6

Activity (Go SEA)

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