UCSF

ZINC00387357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Other Names:

MFCD05741784

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) 2.14 7.54 -15.46 1 4 0 46 251.289 2
Mid Mid (pH 6-8) 2.14 7.98 -31.61 2 4 1 48 252.297 2

Activity (Go SEA)

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