UCSF

ZINC44070143

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 42 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) 9.07 22.96 -194.77 1 9 -3 153 595.842 30
Lo Low (pH 4.5-6) 9.07 20.99 -118.15 2 9 -2 150 596.85 30

Activity (Go SEA)

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