UCSF

ZINC13599886

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 17 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) 1.69 7.3 -11.13 0 4 0 47 259.371 5
Hi High (pH 8-9.5) 1.69 7.84 -53.65 0 4 -1 47 258.363 5

Activity (Go SEA)

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