UCSF

ZINC39712257

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 13 Yes

Other Names:

MFCD07370021

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) 2.68 5.99 -112.35 4 2 2 33 188.359 9
Mid Mid (pH 6-8) 2.68 4.8 -36.75 3 2 1 29 187.351 9
Mid Mid (pH 6-8) 2.68 4.64 -33.25 3 2 1 29 187.351 9

Activity (Go SEA)

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