UCSF

ZINC40109081

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 No

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) 3.76 9.87 -57.14 1 9 -1 136 487.488 9
Lo Low (pH 4.5-6) 3.76 9.11 -17.98 2 9 0 133 488.496 9

Activity (Go SEA)

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