UCSF

ZINC39292285

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.92 3.65 -36.28 0 4 -1 61 302.162 3
Lo Low (pH 4.5-6) 2.92 4.1 -41.94 1 4 0 62 303.17 3
Lo Low (pH 4.5-6) 2.92 3.51 -9.06 1 4 0 59 303.17 3

Activity (Go SEA)

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