UCSF

ZINC34684578

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 3.16 6.8 -10.75 1 5 0 45 387.911 7
Mid Mid (pH 6-8) 3.16 9.01 -48.3 2 5 1 46 388.919 7

Activity (Go SEA)

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