UCSF

ZINC37853335

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.82 7.97 -40.5 3 3 1 46 348.264 6
Hi High (pH 8-9.5) 3.82 6.83 -6.92 2 3 0 41 347.256 6

Activity (Go SEA)

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