UCSF

ZINC44430464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 32 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) 5.33 15.57 -187.53 1 8 -3 149 454.584 22
Lo Low (pH 4.5-6) 5.33 13.6 -111.74 2 8 -2 147 455.592 22

Activity (Go SEA)

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