UCSF

ZINC36986544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 2.54 4.97 -14.62 2 3 0 53 240.372 5
Mid Mid (pH 6-8) 2.86 4.69 -6.9 3 3 0 55 240.372 5

Activity (Go SEA)

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