UCSF

ZINC34675979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 4.37 13.05 -19.29 1 5 0 62 449.554 8
Lo Low (pH 4.5-6) 4.37 13.52 -50.96 2 5 1 64 450.562 8

Activity (Go SEA)

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