UCSF

ZINC37822630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.76 4.83 -54.3 3 4 1 72 240.371 7
Mid Mid (pH 6-8) 0.76 5.01 -9.89 2 4 0 70 239.363 7

Activity (Go SEA)

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