UCSF

ZINC37820489

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.30 -2.36 -51.78 6 7 1 120 305.424 5
Hi High (pH 8-9.5) -0.30 -2.73 -58.29 5 7 0 122 304.416 5

Activity (Go SEA)

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