UCSF

ZINC43262950

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.84 2.25 -48.37 4 4 1 60 335.291 6
Hi High (pH 8-9.5) 1.84 1.92 -6.08 3 4 0 58 334.283 6
Lo Low (pH 4.5-6) 1.84 4.2 -124.84 5 4 2 61 336.299 6

Activity (Go SEA)

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