UCSF

ZINC06677618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 12 Yes

Other Names:

MFCD08144086

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) 0.21 3.73 -52.98 3 3 1 45 168.264 4
Mid Mid (pH 6-8) 0.21 4.19 -91.21 4 3 2 47 169.272 4

Activity (Go SEA)

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