UCSF

ZINC43969214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.43 5.47 -35.68 2 4 1 38 281.42 9
Hi High (pH 8-9.5) 2.43 3.81 -3.53 1 4 0 34 280.412 9
Mid Mid (pH 6-8) 2.43 5.7 -30.77 2 4 1 35 281.42 9

Activity (Go SEA)

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