UCSF

ZINC39046426

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 18 No

Other Names:

MFCD09751519

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) -4.58 4.19 -63.27 6 6 0 136 296.414 11
Hi High (pH 8-9.5) -4.58 3.56 -90 4 6 -2 132 294.398 11
Mid Mid (pH 6-8) -4.58 3.9 -69.82 5 6 -1 134 295.406 11

Activity (Go SEA)

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