UCSF

ZINC39132616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 Yes

Other Names:

MFCD00071533

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) -1.28 -3.56 -9.01 3 6 0 93 151.129 0
Mid Mid (pH 6-8) -1.21 -6.13 -41.64 2 6 -1 100 150.121 0
Mid Mid (pH 6-8) -1.21 -5.84 -39.78 3 6 0 101 151.129 0

Activity (Go SEA)

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