UCSF

ZINC33754773

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 22 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) 3.94 9.95 -42.34 2 3 1 34 344.306 5
Hi High (pH 8-9.5) 3.94 7.77 -7.79 1 3 0 32 343.298 5

Activity (Go SEA)

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