UCSF

ZINC08718294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 2.34 -1.58 -23.84 1 6 0 76 356.451 4
Lo Low (pH 4.5-6) 2.34 -1.54 -41.8 2 6 1 78 357.459 4

Activity (Go SEA)

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