UCSF

ZINC14067363

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 15 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) 4.01 8.41 -5.15 0 1 0 13 280.19 3
Lo Low (pH 4.5-6) 4.01 8.69 -32.88 1 1 1 14 281.198 3

Activity (Go SEA)

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