UCSF

ZINC22149081

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) -0.30 6.32 -59.73 2 6 -1 98 337.153 5
Mid Mid (pH 6-8) -0.30 6.84 -70.23 3 6 0 99 338.161 5
Mid Mid (pH 6-8) -0.30 7.08 -61.07 2 6 -1 98 337.153 5

Activity (Go SEA)

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