UCSF

ZINC34920717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 2.32 5.56 -9.73 0 6 0 53 385.508 3
Mid Mid (pH 6-8) 2.32 7.79 -57.07 1 6 1 54 386.516 3

Activity (Go SEA)

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