UCSF

ZINC41194118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.54 6.15 -32.91 2 3 1 33 294.488 4
Hi High (pH 8-9.5) 2.54 7.39 -32.33 2 3 1 29 294.488 4
Mid Mid (pH 6-8) 2.54 8.52 -99.73 3 3 2 34 295.496 4
Lo Low (pH 4.5-6) 2.54 6.6 -82.73 3 3 2 31 295.496 4

Activity (Go SEA)

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