UCSF

ZINC70515258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.60 4.98 -76.35 4 4 2 45 297.487 9
Hi High (pH 8-9.5) 1.60 4.98 -89.01 4 4 2 45 297.487 9
Hi High (pH 8-9.5) 1.60 2.72 -31.47 3 4 1 43 296.479 9

Activity (Go SEA)

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