UCSF

ZINC37855454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.89 5.05 -52.41 3 5 1 66 290.387 5
Hi High (pH 8-9.5) 0.89 3.81 -14.88 2 5 0 61 289.379 5

Activity (Go SEA)

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