UCSF

ZINC37984474

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 2.53 5.36 -39.72 3 4 1 55 344.273 8
Hi High (pH 8-9.5) 2.53 4.57 -7.85 2 4 0 50 343.265 8

Activity (Go SEA)

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