UCSF

ZINC22888446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 3.78 8.85 -13.69 0 6 0 62 446.938 4
Mid Mid (pH 6-8) 3.78 11.12 -67.78 1 6 1 64 447.946 4

Activity (Go SEA)

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