UCSF

ZINC34873066

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 5.35 13.94 -13.91 1 6 0 81 487.559 8
Lo Low (pH 4.5-6) 5.35 14.4 -42.33 2 6 1 82 488.567 8

Activity (Go SEA)

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