UCSF

ZINC42366757

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 0.02 2.71 -49.06 2 6 1 63 258.342 6
Mid Mid (pH 6-8) 0.02 0.52 -17.84 1 6 0 62 257.334 6

Activity (Go SEA)

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