UCSF

ZINC33740437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 3.56 11.06 -52.65 2 9 1 90 522.577 9
Hi High (pH 8-9.5) 3.56 8.83 -11.52 1 9 0 88 521.569 9

Activity (Go SEA)

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