UCSF

ZINC37106529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.08 7.98 -77.99 3 4 2 36 250.39 3
Mid Mid (pH 6-8) 1.08 7.24 -38.31 2 4 1 34 249.382 3
Lo Low (pH 4.5-6) 1.08 9.14 -182.37 4 4 3 40 251.398 3
Lo Low (pH 4.5-6) 1.08 6.76 -101.45 3 4 2 39 250.39 3

Activity (Go SEA)

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