UCSF

ZINC19900976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 1.58 4.55 -46.8 2 3 1 33 236.383 7
Hi High (pH 8-9.5) 1.58 3.33 -3.29 1 3 0 28 235.375 7
Mid Mid (pH 6-8) 1.58 5.17 -35.49 2 3 1 29 236.383 7
Mid Mid (pH 6-8) 1.58 6.71 -118.14 3 3 2 34 237.391 7
Lo Low (pH 4.5-6) 1.58 5.61 -78.49 3 3 2 31 237.391 7

Activity (Go SEA)

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