UCSF

ZINC61721224

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 25 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) 0.79 6.41 -64.18 1 7 -1 99 345.375 4
Lo Low (pH 4.5-6) 0.79 4.47 -16.5 2 7 0 96 346.383 4

Activity (Go SEA)

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