UCSF

ZINC35765384

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) 1.40 2.13 -44.98 3 3 1 40 227.372 5
Hi High (pH 8-9.5) 1.40 1.78 -1.89 2 3 0 38 226.364 5
Mid Mid (pH 6-8) 1.40 3.97 -121.52 4 3 2 41 228.38 5
Mid Mid (pH 6-8) 1.40 3.59 -30.38 3 3 1 40 227.372 5

Activity (Go SEA)

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