UCSF

ZINC36076891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 19 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) 2.52 5.56 -38.49 2 4 1 51 285.433 7
Hi High (pH 8-9.5) 2.52 3.5 -8.85 1 4 0 49 284.425 7

Activity (Go SEA)

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