UCSF

ZINC07000481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2006 30 No

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) 3.08 8.23 -23.4 2 8 0 109 486.351 3
Ref Reference (pH 7) 2.90 8.23 -47.82 3 8 1 107 487.359 4
Hi High (pH 8-9.5) 3.54 6.48 -49.9 1 8 -1 112 485.343 3

Activity (Go SEA)

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