UCSF

ZINC43980828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.17 8.99 -107.67 3 3 2 30 292.467 6
Hi High (pH 8-9.5) 3.17 6.85 -2.07 1 3 0 24 290.451 6
Hi High (pH 8-9.5) 3.17 7.37 -34.61 2 3 1 29 291.459 6
Mid Mid (pH 6-8) 3.17 7.92 -29.02 2 3 1 26 291.459 6

Activity (Go SEA)

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