UCSF

ZINC28162263

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 31 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) 5.28 13.58 -7.43 0 4 0 32 428.605 4
Mid Mid (pH 6-8) 5.28 15.43 -42.89 1 4 1 33 429.613 4

Activity (Go SEA)

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