UCSF

ZINC60029864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 18 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) -0.16 3.29 -48.75 1 6 1 62 278.398 5
Hi High (pH 8-9.5) -0.16 0.9 -15.56 0 6 0 61 277.39 5

Activity (Go SEA)

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