UCSF

ZINC37338561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.72 2.47 -8.94 1 4 0 50 249.31 4
Hi High (pH 8-9.5) 1.72 3.24 -42.61 0 4 -1 53 248.302 4
Lo Low (pH 4.5-6) 1.72 4.67 -44 2 4 1 51 250.318 4

Activity (Go SEA)

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