UCSF

ZINC42779247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 1.19 4.65 -37.74 2 5 1 54 253.37 7
Hi High (pH 8-9.5) 1.19 2.57 -8.02 1 5 0 52 252.362 7
Mid Mid (pH 6-8) 1.19 4.63 -82.61 3 5 2 55 254.378 7
Lo Low (pH 4.5-6) 1.19 5.15 -91.79 3 5 2 55 254.378 7

Activity (Go SEA)

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