UCSF

ZINC05372845

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 12 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) -3.25 -10.91 -18.36 6 7 0 130 181.144 4
Hi High (pH 8-9.5) -3.25 -10.34 -56.17 5 7 -1 133 180.136 4

Activity (Go SEA)

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