UCSF

ZINC09241499

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 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) 6.22 0.91 -12.53 0 5 0 55 445.588 9
Lo Low (pH 4.5-6) 6.22 1.02 -44.59 1 5 1 56 446.596 9

Activity (Go SEA)

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