UCSF

ZINC43912948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.17 4.09 -30.93 2 4 1 38 261.43 12
Hi High (pH 8-9.5) 2.17 3.67 -1.62 1 4 0 34 260.422 12
Mid Mid (pH 6-8) 2.17 5.01 -27.42 2 4 1 35 261.43 12

Activity (Go SEA)

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