UCSF

ZINC13424432

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 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) 4.72 9.14 -13.32 1 6 0 81 386.404 6
Ref Reference (pH 7) 4.23 8.58 -42.69 0 6 -1 80 385.396 7

Activity (Go SEA)

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