UCSF

ZINC19865104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 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) 1.73 6.77 -21.28 2 7 0 101 406.467 5
Hi High (pH 8-9.5) 1.73 7.72 -64.15 1 7 -1 103 405.459 5

Activity (Go SEA)

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