UCSF

ZINC43427214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.47 4.79 -47.21 3 3 1 40 271.384 2
Hi High (pH 8-9.5) 1.47 4.38 -5.62 2 3 0 38 270.376 2
Lo Low (pH 4.5-6) 1.47 7.04 -90.56 4 3 2 41 272.392 2

Activity (Go SEA)

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