UCSF

ZINC36986321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.92 5.44 -41.25 2 3 1 35 248.346 2
Hi High (pH 8-9.5) 2.92 4.35 -4.35 1 3 0 30 247.338 2

Activity (Go SEA)

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