UCSF

ZINC43413650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.80 4.09 -69.05 3 6 0 95 298.383 6
Hi High (pH 8-9.5) 0.80 2.86 -57.69 2 6 -1 90 297.375 6
Lo Low (pH 4.5-6) 0.80 2.1 -42.29 4 6 1 92 299.391 6

Activity (Go SEA)

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