UCSF

ZINC01954286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 30 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) 5.50 8.83 -30.86 3 6 1 85 395.442 3
Lo Low (pH 4.5-6) 5.50 9.27 -87.38 4 6 2 86 396.45 3

Activity (Go SEA)

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