UCSF

ZINC34939741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) -0.28 1.38 -31.43 3 4 1 46 200.306 3
Lo Low (pH 4.5-6) -0.28 2.64 -109.07 4 4 2 50 201.314 3
Lo Low (pH 4.5-6) -0.28 0.55 -37.38 3 4 1 49 200.306 3

Activity (Go SEA)

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