UCSF

ZINC08588666

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 33 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) 5.15 12.13 -18.65 1 6 0 69 436.515 5
Hi High (pH 8-9.5) 5.22 10.61 -65.94 1 6 -1 78 435.507 5

Activity (Go SEA)

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