UCSF

ZINC39886137

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 23 No

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) 4.11 7.48 -7.91 1 4 0 54 328.368 3
Mid Mid (pH 6-8) 4.57 5.93 -41.37 0 4 -1 58 327.36 3

Activity (Go SEA)

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