UCSF

ZINC45658989

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.77 5.94 -91.74 4 4 2 44 287.492 9
Hi High (pH 8-9.5) 1.77 2.03 -35.12 3 4 1 43 286.484 9
Hi High (pH 8-9.5) 1.77 4.6 -33.65 3 4 1 43 286.484 9
Mid Mid (pH 6-8) 1.77 5.11 -199.32 5 4 3 46 288.5 9
Mid Mid (pH 6-8) 1.77 1.87 -24.73 3 4 1 43 286.484 9
Mid Mid (pH 6-8) 1.77 1.67 -1.12 2 4 0 42 285.476 9
Lo Low (pH 4.5-6) 1.77 4.65 -96.35 4 4 2 45 287.492 9

Activity (Go SEA)

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