UCSF

ZINC22851241

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 32 No

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) 2.00 5.61 -46.7 3 8 1 84 459.954 7
Mid Mid (pH 6-8) 2.00 3.14 -9.35 2 8 0 83 458.946 7

Activity (Go SEA)

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