UCSF

ZINC21640418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 4.57 10.3 -8.96 0 6 0 45 447.558 6
Mid Mid (pH 6-8) 4.57 12.73 -43.99 1 6 1 46 448.566 6

Activity (Go SEA)

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