UCSF

ZINC45072489

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 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) 1.69 7.51 -120.69 4 3 2 41 278.44 4
Hi High (pH 8-9.5) 1.69 5.6 -2.63 2 3 0 38 276.424 4
Hi High (pH 8-9.5) 1.69 5.83 -42.02 3 3 1 40 277.432 4
Mid Mid (pH 6-8) 1.69 7.23 -35.23 3 3 1 40 277.432 4

Activity (Go SEA)

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