UCSF

ZINC72071461

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2012 25 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) 2.37 5.05 -12.58 1 7 0 94 339.351 5

Activity (Go SEA)

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