UCSF

ZINC23358981

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 2.59 8.11 -40.75 1 4 1 26 319.469 6
Hi High (pH 8-9.5) 2.59 5.87 -5.61 0 4 0 25 318.461 6
Mid Mid (pH 6-8) 2.59 8.28 -38.09 1 4 1 26 319.469 6
Lo Low (pH 4.5-6) 2.59 10.52 -116.14 2 4 2 27 320.477 6

Activity (Go SEA)

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