UCSF

ZINC25463904

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 3.22 5.62 -58.07 1 5 -1 77 324.385 3
Mid Mid (pH 6-8) 3.22 5.55 -17.1 2 5 0 75 325.393 3

Activity (Go SEA)

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