UCSF

ZINC45658903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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
Hi High (pH 8-9.5) 0.39 1.19 -40.87 3 4 1 43 256.414 7
Hi High (pH 8-9.5) 0.39 3.51 -32.79 3 4 1 43 256.414 7
Mid Mid (pH 6-8) 0.39 4.72 -93.77 4 4 2 44 257.422 7
Mid Mid (pH 6-8) 0.39 2.15 -27.47 3 4 1 43 256.414 7
Mid Mid (pH 6-8) 0.39 1.03 -1.38 2 4 0 42 255.406 7
Lo Low (pH 4.5-6) 0.39 3.7 -104.34 4 4 2 45 257.422 7

Activity (Go SEA)

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