UCSF

ZINC13465104

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 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) 3.25 4.52 -43.68 1 6 -1 91 331.421 5
Mid Mid (pH 6-8) 2.79 4.64 -28.15 2 6 0 88 332.429 5

Activity (Go SEA)

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