UCSF

ZINC59971741

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 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) 0.18 9.97 -17.26 0 10 0 115 515.57 8
Lo Low (pH 4.5-6) 0.18 10.67 -92 2 10 2 117 517.586 8
Lo Low (pH 4.5-6) 0.18 9.78 -57.33 1 10 1 116 516.578 8

Activity (Go SEA)

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