UCSF

ZINC36090192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 28 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) 3.18 7.78 -48.2 2 5 1 46 386.491 7
Mid Mid (pH 6-8) 3.18 5.52 -13.81 1 5 0 45 385.483 7

Activity (Go SEA)

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