UCSF

ZINC33825297

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 27 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) 3.95 12.82 -40.96 2 7 1 72 419.015 12
Hi High (pH 8-9.5) 3.95 10.75 -9.14 1 7 0 71 418.007 12

Activity (Go SEA)

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