UCSF

ZINC60283650

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 12 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) 0.69 4.83 -40.48 1 3 1 25 171.264 2
Hi High (pH 8-9.5) 0.69 2.18 -7.42 0 3 0 24 170.256 2

Activity (Go SEA)

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