UCSF

ZINC21633829

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 3.24 4.7 -64.3 2 8 1 89 472.946 7
Mid Mid (pH 6-8) 3.24 5.6 -20.45 1 8 0 88 471.938 7

Activity (Go SEA)

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