UCSF

ZINC44526976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 1.26 3.12 -50.41 1 5 -1 68 262.333 4
Hi High (pH 8-9.5) 1.26 4.35 -41.18 3 5 1 67 264.349 4
Hi High (pH 8-9.5) 1.26 5.83 -76.83 3 5 1 71 264.349 4
Mid Mid (pH 6-8) 1.26 5.36 -69.9 2 5 0 69 263.341 4
Lo Low (pH 4.5-6) 1.26 4.82 -91.18 4 5 2 68 265.357 4

Activity (Go SEA)

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