UCSF

ZINC34854036

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 2.83 3.28 -14.61 1 8 0 103 425.495 7
Lo Low (pH 4.5-6) 2.83 3.76 -49.3 2 8 1 104 426.503 7

Activity (Go SEA)

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