UCSF

ZINC43231808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) -1.55 -2.57 -56.58 4 6 1 78 243.331 7
Hi High (pH 8-9.5) -1.55 -2.76 -10.08 3 6 0 77 242.323 7
Hi High (pH 8-9.5) -1.55 -0.15 -35.67 4 6 1 78 243.331 7

Activity (Go SEA)

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