UCSF

ZINC25086867

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 3.15 6.54 -49.4 1 7 -1 104 449.555 9
Mid Mid (pH 6-8) 3.15 6.48 -19.66 2 7 0 102 450.563 9

Activity (Go SEA)

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