UCSF

ZINC01114713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 5.03 13.45 -13.35 0 6 0 70 448.906 7
Lo Low (pH 4.5-6) 5.03 13.72 -40.99 1 6 1 72 449.914 7

Activity (Go SEA)

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