UCSF

ZINC39909036

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.94 7.66 -11.92 1 6 0 80 444.281 2
Hi High (pH 8-9.5) 3.94 8.58 -49.63 0 6 -1 83 443.273 2

Activity (Go SEA)

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