UCSF

ZINC49282631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) 2.57 5.02 -41.41 2 4 1 51 303.473 5
Hi High (pH 8-9.5) 2.57 4.84 -36.8 1 4 0 53 302.465 5
Hi High (pH 8-9.5) 2.57 2.61 -8.01 1 4 0 49 302.465 5

Activity (Go SEA)

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