UCSF

ZINC37805047

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.94 5.43 -40.8 2 3 1 37 283.339 5
Mid Mid (pH 6-8) 1.94 4.31 -9.16 1 3 0 32 282.331 5

Activity (Go SEA)

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