UCSF

ZINC19496847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 25 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) 3.88 9.33 -38.82 1 4 1 30 343.491 4
Lo Low (pH 4.5-6) 3.88 11.72 -108.96 2 4 2 31 344.499 4

Activity (Go SEA)

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