UCSF

ZINC42908522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.38 9.3 -116.76 4 2 2 32 284.447 5
Mid Mid (pH 6-8) 3.38 6.77 -41.8 3 2 1 31 283.439 5
Mid Mid (pH 6-8) 3.38 8.98 -31.13 3 2 1 30 283.439 5

Activity (Go SEA)

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