UCSF

ZINC44352451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 35 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) 6.12 12.45 -100.06 1 5 -2 100 484.677 3
Lo Low (pH 4.5-6) 6.12 10.67 -51.97 2 5 -1 98 485.685 3
Lo Low (pH 4.5-6) 6.12 8.74 -7.94 3 5 0 95 486.693 3

Activity (Go SEA)

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