UCSF

ZINC05626144

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 29 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) 4.55 11.26 -17.02 2 6 0 78 390.487 4
Hi High (pH 8-9.5) 5.00 10.14 -52.39 1 6 -1 81 389.479 4

Activity (Go SEA)

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