UCSF

ZINC01110821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 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) 5.21 16.55 -8.91 1 6 0 57 378.402 5
Lo Low (pH 4.5-6) 5.21 16.98 -26.19 2 6 1 58 379.41 5

Activity (Go SEA)

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