UCSF

ZINC33693358

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 2.33 6.63 -40.97 1 4 1 42 331.408 3
Hi High (pH 8-9.5) 2.33 4.22 -7.86 0 4 0 41 330.4 3

Activity (Go SEA)

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