UCSF

ZINC45663831

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.72 10.93 -110.82 3 5 2 67 295.427 10
Hi High (pH 8-9.5) 2.72 9.71 -39.95 2 5 1 62 294.419 10

Activity (Go SEA)

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