UCSF

ZINC41737761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 No

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) -1.30 1.88 -41.16 2 5 0 91 249.332 5
Hi High (pH 8-9.5) -1.30 0.84 -51.75 1 5 -1 86 248.324 5

Activity (Go SEA)

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