UCSF

ZINC37794850

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.48 8.87 -60.22 1 5 -1 93 285.323 4
Lo Low (pH 4.5-6) 2.48 6.84 -17.47 2 5 0 90 286.331 4

Activity (Go SEA)

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