UCSF

ZINC19268350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.70 6.15 -33.06 3 3 1 34 276.448 4
Hi High (pH 8-9.5) 0.70 6.95 -34.4 3 3 1 34 276.448 4
Lo Low (pH 4.5-6) 0.70 8.55 -96.97 4 3 2 35 277.456 4

Activity (Go SEA)

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