UCSF

ZINC42869545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.39 0.62 -44.07 3 3 1 44 200.331 5
Hi High (pH 8-9.5) 0.39 0.32 -4.63 2 3 0 42 199.323 5
Mid Mid (pH 6-8) 0.39 2.95 -109.02 4 3 2 45 201.339 5

Activity (Go SEA)

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