UCSF

ZINC34681910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 2.85 11.23 -42.22 2 6 1 63 424.475 5
Lo Low (pH 4.5-6) 2.85 11.56 -104.15 3 6 2 64 425.483 5

Activity (Go SEA)

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