UCSF

ZINC19957536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 11 Yes

Other Names:

MFCD03419440

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) 0.90 3.07 -18.71 2 2 0 28 158.289 4
Hi High (pH 8-9.5) 0.90 1.58 -0.56 2 2 0 29 158.289 4
Mid Mid (pH 6-8) 0.90 2.28 -35.31 3 2 1 31 159.297 4
Mid Mid (pH 6-8) 0.90 3.68 -106.42 4 2 2 32 160.305 4
Mid Mid (pH 6-8) 0.90 3.35 -24.77 3 2 1 30 159.297 4

Activity (Go SEA)

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