UCSF

ZINC13817492

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 30 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) 4.41 9 -9.91 1 7 0 81 417.55 7
Mid Mid (pH 6-8) 4.41 9.38 -33.61 2 7 1 82 418.558 7

Activity (Go SEA)

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