UCSF

ZINC43445722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.50 0.8 -36.35 3 3 1 40 189.323 7
Hi High (pH 8-9.5) 0.50 -0.34 -2.45 2 3 0 35 188.315 7
Mid Mid (pH 6-8) 0.50 1.7 -32.55 3 3 1 37 189.323 7
Mid Mid (pH 6-8) 0.50 2.85 -109.83 4 3 2 41 190.331 7

Activity (Go SEA)

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