UCSF

ZINC45943503

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 2.31 8.87 -75.69 2 4 2 26 274.412 3
Hi High (pH 8-9.5) 2.31 5.93 -8.61 0 4 0 24 272.396 3
Hi High (pH 8-9.5) 2.31 6.66 -25.54 1 4 1 25 273.404 3
Mid Mid (pH 6-8) 2.31 8.13 -35.68 1 4 1 25 273.404 3

Activity (Go SEA)

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