UCSF

ZINC12521551

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 2.22 5.78 -10.09 1 5 0 68 326.425 4
Lo Low (pH 4.5-6) 2.22 6.06 -39.35 2 5 1 69 327.433 4

Activity (Go SEA)

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