UCSF

ZINC22943097

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 1.06 2.47 -38.35 3 5 1 57 292.403 6
Mid Mid (pH 6-8) 1.06 2.66 -35.1 3 5 1 57 292.403 6
Mid Mid (pH 6-8) 1.06 0.3 -9.41 2 5 0 56 291.395 6

Activity (Go SEA)

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