UCSF

ZINC13831422

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 4.19 9.71 -11.68 1 3 0 41 317.388 5
Hi High (pH 8-9.5) 4.19 10.6 -58.15 0 3 -1 43 316.38 5

Activity (Go SEA)

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