UCSF

ZINC37871476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.93 5.44 -53.25 2 4 1 59 235.307 6
Mid Mid (pH 6-8) 0.93 4.36 -12.75 1 4 0 54 234.299 6

Activity (Go SEA)

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