UCSF

ZINC65322697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 35 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) 4.93 11.1 -19.94 2 8 0 90 471.561 7
Lo Low (pH 4.5-6) 4.93 11.45 -43.35 3 8 1 91 472.569 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.