UCSF

ZINC36189945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 1.88 3.87 -40.07 3 7 1 89 345.423 6
Mid Mid (pH 6-8) 2.33 2.14 -55.81 2 7 0 92 344.415 6

Activity (Go SEA)

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