UCSF

ZINC36394561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2009 19 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) 1.48 0.73 -49.23 1 6 -1 105 280.329 6
Lo Low (pH 4.5-6) 1.85 2.69 -13.68 2 6 0 99 281.337 5

Activity (Go SEA)

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