UCSF

ZINC37078668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 Yes

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) -0.31 1.81 -42.15 3 3 1 40 207.297 2
Hi High (pH 8-9.5) -0.31 1.51 -3.61 2 3 0 38 206.289 2
Mid Mid (pH 6-8) -0.31 3.72 -36.61 3 3 1 40 207.297 2
Lo Low (pH 4.5-6) -0.31 4.02 -123.85 4 3 2 41 208.305 2

Activity (Go SEA)

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