UCSF

ZINC25455218

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 5.15 12.8 -26.87 1 6 0 73 477.64 6
Hi High (pH 8-9.5) 5.22 11.89 -53.49 0 6 -1 79 476.632 6

Activity (Go SEA)

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