UCSF

ZINC33748770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 25 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) 3.10 11.48 -45.12 3 4 1 58 373.933 5
Hi High (pH 8-9.5) 3.10 11.15 -9.33 2 4 0 57 372.925 5

Activity (Go SEA)

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