UCSF

ZINC00596515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 35 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) 4.73 12.46 -43.58 1 4 1 28 500.507 5
Hi High (pH 8-9.5) 4.73 10.08 -6 0 4 0 27 499.499 5

Activity (Go SEA)

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