UCSF

ZINC37130208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.33 4.35 -48.12 3 5 1 62 260.317 2
Hi High (pH 8-9.5) 2.79 1.71 -76.06 2 5 0 66 259.309 2

Activity (Go SEA)

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