UCSF

ZINC37824784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.57 2.92 -40.8 3 5 1 70 252.338 7
Lo Low (pH 4.5-6) 0.57 3.29 -91.97 4 5 2 71 253.346 7

Activity (Go SEA)

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