UCSF

ZINC25769035

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 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) 3.40 7.01 -24.76 2 8 0 107 471.56 5
Mid Mid (pH 6-8) 3.40 7.07 -51.83 1 8 -1 109 470.552 5

Activity (Go SEA)

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