UCSF

ZINC16225263

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 26 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) 3.44 8.56 -49.95 1 5 -1 74 366.466 2
Lo Low (pH 4.5-6) 2.98 9.65 -12.31 2 5 0 71 367.474 2

Activity (Go SEA)

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