UCSF

ZINC43248826

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.14 2.88 -26.67 4 3 1 51 255.407 6
Hi High (pH 8-9.5) 1.14 1.14 -3.52 3 3 0 49 254.399 6
Mid Mid (pH 6-8) 1.14 1.37 -40.56 4 3 1 51 255.407 6
Lo Low (pH 4.5-6) 1.14 2.87 -101.59 5 3 2 52 256.415 6

Activity (Go SEA)

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