UCSF

ZINC37876928

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 1.07 -1.07 -7.52 2 6 0 63 296.367 7
Mid Mid (pH 6-8) 1.07 1.2 -40.94 3 6 1 64 297.375 7

Activity (Go SEA)

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