UCSF

ZINC25459766

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 4.32 11.1 -47.18 2 5 1 52 462.408 7
Mid Mid (pH 6-8) 4.32 8.87 -9.01 1 5 0 51 461.4 7

Activity (Go SEA)

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