UCSF

ZINC01284586

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 24 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) 3.23 8.72 -16.51 1 7 0 87 329.356 6
Lo Low (pH 4.5-6) 3.23 9.5 -102.21 2 7 0 89 330.364 6

Activity (Go SEA)

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