UCSF

ZINC37849082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.33 3.49 -42.53 3 4 1 49 287.468 12
Mid Mid (pH 6-8) 2.33 4.48 -33.5 3 4 1 46 287.468 12
Lo Low (pH 4.5-6) 2.33 5.81 -111.38 4 4 2 51 288.476 12

Activity (Go SEA)

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