UCSF

ZINC15782539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 12 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) 1.85 2.64 -3.76 1 2 0 33 165.236 3
Lo Low (pH 4.5-6) 1.85 2.93 -33.18 2 2 1 34 166.244 3

Activity (Go SEA)

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