UCSF

ZINC22936699

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 4.08 10.96 -39 2 4 1 38 369.529 10
Mid Mid (pH 6-8) 4.08 11.38 -33.8 2 4 1 35 369.529 10
Lo Low (pH 4.5-6) 4.08 12.77 -118.42 3 4 2 40 370.537 10

Activity (Go SEA)

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