UCSF

ZINC39911657

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 6.03 10.36 -14.64 2 7 0 88 477.605 11
Hi High (pH 8-9.5) 6.03 11.49 -40.81 1 7 -1 91 476.597 11

Activity (Go SEA)

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