UCSF

ZINC43814493

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 3.39 7.13 -38.25 2 4 1 35 291.415 6
Mid Mid (pH 6-8) 3.39 6.45 -46.49 2 4 1 38 291.415 6
Mid Mid (pH 6-8) 3.39 8.46 -123.79 3 4 2 40 292.423 6

Activity (Go SEA)

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