UCSF

ZINC55356200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 2.64 7.18 -9.17 1 4 0 45 281.359 3
Lo Low (pH 4.5-6) 2.64 7.81 -35.4 2 4 1 46 282.367 3

Activity (Go SEA)

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