UCSF

ZINC06894442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 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) 4.20 10.73 -41.27 3 4 0 73 322.408 6
Hi High (pH 8-9.5) 4.20 9.37 -50.41 2 4 -1 68 321.4 6

Activity (Go SEA)

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