UCSF

ZINC34682781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.83 11.49 -39.8 1 6 1 56 432.544 7
Hi High (pH 8-9.5) 3.83 9.22 -11.08 0 6 0 55 431.536 7

Activity (Go SEA)

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