UCSF

ZINC38031009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 19 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) -0.22 3.87 -93.48 3 5 2 45 270.421 4
Mid Mid (pH 6-8) -0.22 2.57 -41.36 2 5 1 40 269.413 4
Mid Mid (pH 6-8) -0.21 4.03 -99.74 3 5 2 45 270.421 4
Lo Low (pH 4.5-6) -0.21 6.28 -176.51 4 5 3 46 271.429 4

Activity (Go SEA)

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