UCSF

ZINC43248034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.70 4.49 -40.99 3 3 1 44 288.44 4
Hi High (pH 8-9.5) 1.70 5.36 -31.73 3 3 1 43 288.44 4
Hi High (pH 8-9.5) 1.70 4.78 -5.24 2 3 0 42 287.432 4
Lo Low (pH 4.5-6) 1.70 4.95 -113.5 4 3 2 45 289.448 4

Activity (Go SEA)

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