UCSF

ZINC43967548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.02 7.17 -96.58 3 4 2 34 291.439 6
Hi High (pH 8-9.5) 2.02 4.94 -38.92 2 4 1 32 290.431 6
Mid Mid (pH 6-8) 2.02 6.75 -126.29 3 4 2 34 291.439 6

Activity (Go SEA)

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