UCSF

ZINC45664261

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
Ref Reference (pH 7) 1.93 7.89 -182.97 5 3 3 37 270.416 8
Hi High (pH 8-9.5) 1.93 5.02 -32.59 3 3 1 34 268.4 8
Hi High (pH 8-9.5) 1.93 3.28 -46.62 3 3 1 34 268.4 8
Hi High (pH 8-9.5) 1.93 5.37 -35.02 3 3 1 34 268.4 8
Mid Mid (pH 6-8) 1.93 5.76 -96.52 4 3 2 35 269.408 8

Activity (Go SEA)

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