UCSF

ZINC36828531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -0.30 0.32 -50.65 4 6 1 94 292.425 5
Hi High (pH 8-9.5) -0.30 0.03 -12.31 3 6 0 93 291.417 5

Activity (Go SEA)

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