UCSF

ZINC47614502

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 26 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) 2.44 5.97 -41.56 3 7 1 80 362.498 8
Mid Mid (pH 6-8) 2.44 4.75 -15.74 2 7 0 79 361.49 8

Activity (Go SEA)

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