UCSF

ZINC36673697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 3.56 6.54 -14.69 2 3 0 53 268.426 7
Mid Mid (pH 6-8) 3.87 6.25 -6.9 3 3 0 55 268.426 7

Activity (Go SEA)

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