UCSF

ZINC46379949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.30 10.19 -46.92 2 3 1 34 351.392 7
Hi High (pH 8-9.5) 3.30 7.73 -9.22 1 3 0 32 350.384 7

Activity (Go SEA)

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