UCSF

ZINC51570429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 3.58 6.26 -38.9 2 3 1 39 326.189 5
Hi High (pH 8-9.5) 3.58 4.87 -7.25 1 3 0 34 325.181 5

Activity (Go SEA)

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