UCSF

ZINC34349365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 20 No

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) 7.10 11.57 -0.8 0 2 0 6 320.612 15
Lo Low (pH 4.5-6) 7.10 12.8 -28.19 1 2 1 8 321.62 15

Activity (Go SEA)

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