UCSF

ZINC34974885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.08 6.08 -49.95 0 6 -1 70 249.275 4
Lo Low (pH 4.5-6) 0.35 5.96 -14.81 1 6 0 73 250.283 4

Activity (Go SEA)

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