UCSF

ZINC19864046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 Yes

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) 3.29 6.33 -103 4 3 2 41 270.461 6
Hi High (pH 8-9.5) 3.29 4.85 -34.95 3 3 1 37 269.453 6

Activity (Go SEA)

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