UCSF

ZINC34667440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 39 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) 6.59 15.93 -13.88 1 4 0 42 526.627 9
Mid Mid (pH 6-8) 6.59 17.81 -47.36 2 4 1 43 527.635 9

Activity (Go SEA)

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