UCSF

ZINC19575690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 23 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) 3.39 8.7 -34.99 1 4 1 26 317.453 4
Hi High (pH 8-9.5) 3.39 6.85 -5.41 0 4 0 25 316.445 4
Hi High (pH 8-9.5) 3.39 8.74 -40.67 1 4 1 26 317.453 4
Lo Low (pH 4.5-6) 3.39 10.59 -114.95 2 4 2 27 318.461 4

Activity (Go SEA)

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