UCSF

ZINC39898408

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 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) 6.78 11.12 -9.98 2 6 0 78 467.997 10
Hi High (pH 8-9.5) 6.78 12.24 -35.16 1 6 -1 81 466.989 10

Activity (Go SEA)

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