UCSF

ZINC05032210

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 30 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) 5.74 13.95 -23.23 1 5 0 68 420.534 5
Hi High (pH 8-9.5) 5.93 11.6 -50.22 0 5 -1 75 419.526 5

Activity (Go SEA)

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