UCSF

ZINC40012883

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 24 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) 3.74 7.83 -17.83 1 5 0 68 320.396 4
Mid Mid (pH 6-8) 3.81 5.25 -32.7 2 5 1 73 321.404 4

Activity (Go SEA)

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