UCSF

ZINC61721815

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 21 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) 1.22 5.66 -53.45 2 6 -1 98 289.311 4
Lo Low (pH 4.5-6) 1.22 3.65 -13.05 3 6 0 95 290.319 4

Activity (Go SEA)

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