UCSF

ZINC37819306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.55 4.64 -93.16 4 6 2 73 298.431 4
Hi High (pH 8-9.5) -0.55 3.03 -43.99 3 6 1 71 297.423 4

Activity (Go SEA)

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