UCSF

ZINC55669476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 3.17 10.96 -43.65 1 3 1 25 287.427 5
Mid Mid (pH 6-8) 3.17 8.76 -7.03 0 3 0 24 286.419 5

Activity (Go SEA)

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