UCSF

ZINC33706211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) -0.26 1.38 -44.34 2 5 1 50 266.365 6
Mid Mid (pH 6-8) -0.26 -0.91 -7.35 1 5 0 49 265.357 6
Lo Low (pH 4.5-6) -0.26 3.69 -111.49 3 5 2 51 267.373 6
Lo Low (pH 4.5-6) -0.26 1.4 -40.81 2 5 1 50 266.365 6

Activity (Go SEA)

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