UCSF

ZINC29400694

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 19 No

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) 1.84 6.1 -39.63 2 4 1 56 255.297 3
Hi High (pH 8-9.5) 1.84 4.62 -11.75 1 4 0 51 254.289 3

Activity (Go SEA)

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