UCSF

ZINC31949059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.56 10.34 -9.28 1 3 0 38 275.355 4
Lo Low (pH 4.5-6) 3.56 10.78 -30.08 2 3 1 39 276.363 4

Activity (Go SEA)

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