UCSF

ZINC25514785

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) 4.05 7.82 -49.15 1 6 -1 94 415.535 9
Mid Mid (pH 6-8) 4.05 7.95 -19.16 2 6 0 92 416.543 9

Activity (Go SEA)

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