UCSF

ZINC33796267

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 15 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) 3.13 6.48 -35.41 2 2 1 25 208.325 3
Hi High (pH 8-9.5) 3.13 3.97 -3.26 1 2 0 23 207.317 3

Activity (Go SEA)

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