UCSF

ZINC39301458

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 6.05 15.77 -11.23 2 6 0 70 431.584 9
Lo Low (pH 4.5-6) 6.05 15.88 -40.3 3 6 1 71 432.592 9

Activity (Go SEA)

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