UCSF

ZINC35358780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.80 2.06 -6.65 2 4 0 57 182.223 5
Mid Mid (pH 6-8) 0.80 2.53 -29.67 3 4 1 59 183.231 5

Activity (Go SEA)

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