UCSF

ZINC25793699

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 21 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) 0.31 4.65 -47.73 2 6 1 63 294.375 7
Mid Mid (pH 6-8) 0.31 2.46 -17.98 1 6 0 62 293.367 7

Activity (Go SEA)

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