UCSF

ZINC04276078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 24 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) 4.16 3.82 -13.85 1 6 0 77 364.188 4
Hi High (pH 8-9.5) 4.23 2.72 -50.61 0 6 -1 84 363.18 4

Activity (Go SEA)

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