UCSF

ZINC22593560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.93 8.78 -35.67 1 4 1 26 313.506 9
Mid Mid (pH 6-8) 3.93 6.78 -2.13 0 4 0 25 312.498 9
Lo Low (pH 4.5-6) 3.92 8.43 -117.65 2 4 2 27 314.514 9

Activity (Go SEA)

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