UCSF

ZINC42590968

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 25 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) 0.77 6.12 -50.68 2 6 1 57 345.467 6
Hi High (pH 8-9.5) 0.77 3.85 -21.55 1 6 0 56 344.459 6

Activity (Go SEA)

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