UCSF

ZINC43977838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.07 7.96 -96.29 3 3 2 30 270.461 9
Hi High (pH 8-9.5) 3.07 4.59 -2.21 1 3 0 24 268.445 9
Hi High (pH 8-9.5) 3.07 6.94 -25.57 2 3 1 26 269.453 9
Mid Mid (pH 6-8) 3.07 5.72 -33.32 2 3 1 29 269.453 9

Activity (Go SEA)

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