UCSF

ZINC37051841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.07 6.84 -35.53 2 4 1 34 277.436 3
Lo Low (pH 4.5-6) 1.07 7.84 -106.8 3 4 2 39 278.444 3
Lo Low (pH 4.5-6) 1.07 5.64 -39.09 2 4 1 38 277.436 3

Activity (Go SEA)

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