UCSF

ZINC37241665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 1.65 4.38 -30.09 2 2 1 16 169.292 2
Hi High (pH 8-9.5) 1.65 1.98 -1.1 1 2 0 15 168.284 2
Lo Low (pH 4.5-6) 1.65 3.28 -35.92 2 2 1 20 169.292 2
Lo Low (pH 4.5-6) 1.65 5.68 -105.25 3 2 2 21 170.3 2

Activity (Go SEA)

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