UCSF

ZINC13131790

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 Yes

Other Names:

MFCD04034363

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) 2.64 10.63 -8.69 1 5 0 56 280.331 2
Hi High (pH 8-9.5) 2.82 10.84 -30.5 2 5 1 61 281.339 2
Mid Mid (pH 6-8) 2.82 11.35 -110.58 3 5 2 62 282.347 2
Lo Low (pH 4.5-6) 2.82 10.43 -44.16 2 5 1 60 281.339 2

Activity (Go SEA)

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