UCSF

ZINC25408239

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 25 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) 2.93 6.39 -12.73 0 5 0 64 375.881 4
Mid Mid (pH 6-8) 2.93 8.66 -58.05 1 5 1 66 376.889 4

Activity (Go SEA)

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