UCSF

ZINC49236729

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 1.53 3.42 -9.7 1 5 0 58 281.743 5
Mid Mid (pH 6-8) 1.99 3.03 -44.88 1 5 0 63 281.743 5
Mid Mid (pH 6-8) 1.53 5.8 -48.75 2 5 1 59 282.751 5

Activity (Go SEA)

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