UCSF

ZINC52505314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 3.48 8.62 -41.99 2 2 1 20 301.479 5
Mid Mid (pH 6-8) 3.48 10.7 -99.07 3 2 2 21 302.487 5

Activity (Go SEA)

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