UCSF

ZINC45689105

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) 2.01 5.47 -110.83 3 4 2 34 273.465 9
Hi High (pH 8-9.5) 2.00 3.2 -35.12 2 4 1 32 272.457 9
Hi High (pH 8-9.5) 2.00 2.42 -0.98 1 4 0 28 271.449 9
Hi High (pH 8-9.5) 2.00 4.89 -35.87 2 4 1 29 272.457 9
Mid Mid (pH 6-8) 2.01 5.66 -89.29 3 4 2 34 273.465 9
Mid Mid (pH 6-8) 2.01 4.32 -32.64 2 4 1 29 272.457 9

Activity (Go SEA)

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