UCSF

ZINC52248930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) 0.06 3.38 -47.35 1 4 -1 73 180.183 3
Lo Low (pH 4.5-6) 0.06 3.1 -36.1 2 4 0 74 181.191 3

Activity (Go SEA)

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