UCSF

ZINC39952260

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 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) -1.08 5.83 -33.41 3 6 0 97 278.308 4
Hi High (pH 8-9.5) -1.08 5.48 -47.99 2 6 -1 96 277.3 4

Activity (Go SEA)

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