UCSF

ZINC06718466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2006 18 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) -0.21 -3.11 -13.99 3 8 0 116 251.246 5
Lo Low (pH 4.5-6) -0.21 -2.97 -41.37 4 8 1 117 252.254 5

Activity (Go SEA)

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