UCSF

ZINC46601485

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2010 19 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) 3.24 7.75 -33.56 2 3 1 34 263.405 4
Hi High (pH 8-9.5) 3.24 5.52 -6.51 1 3 0 32 262.397 4

Activity (Go SEA)

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