UCSF

ZINC43411327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.37 3.61 -37.99 3 4 1 49 275.457 12
Mid Mid (pH 6-8) 2.37 4.34 -30.37 3 4 1 46 275.457 12
Lo Low (pH 4.5-6) 2.37 5.56 -110.34 4 4 2 51 276.465 12

Activity (Go SEA)

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