UCSF

ZINC43969142

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.27 7.58 -105.45 3 3 2 30 280.456 8
Hi High (pH 8-9.5) 3.27 6.24 -2.57 1 3 0 24 278.44 8
Hi High (pH 8-9.5) 3.27 7.79 -33.24 2 3 1 29 279.448 8
Mid Mid (pH 6-8) 3.27 8.63 -29.07 2 3 1 26 279.448 8

Activity (Go SEA)

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