UCSF

ZINC39578262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 34 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) 5.07 9.71 -17.35 2 8 0 111 488.606 10
Mid Mid (pH 6-8) 5.07 9.74 -57.45 1 8 -1 113 487.598 10

Activity (Go SEA)

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