UCSF

ZINC45658710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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
Hi High (pH 8-9.5) 0.06 2.2 -44.8 3 4 1 43 270.441 5
Hi High (pH 8-9.5) 0.06 3.81 -32.89 3 4 1 43 270.441 5
Mid Mid (pH 6-8) 0.06 5.51 -101.27 4 4 2 44 271.449 5
Mid Mid (pH 6-8) 0.06 4.11 -122.53 4 4 2 45 271.449 5
Mid Mid (pH 6-8) 0.06 1.44 -1.99 2 4 0 42 269.433 5
Mid Mid (pH 6-8) 0.06 3.69 -29.2 3 4 1 43 270.441 5
Lo Low (pH 4.5-6) 0.06 4.18 -105.47 4 4 2 45 271.449 5

Activity (Go SEA)

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