UCSF

ZINC42814975

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.99 8.2 -95.85 3 3 2 30 270.461 6
Hi High (pH 8-9.5) 2.99 7.05 -31.95 2 3 1 26 269.453 6

Activity (Go SEA)

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