UCSF

ZINC03528979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 24 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) 3.09 3.12 -13.76 3 7 0 105 351.742 6
Hi High (pH 8-9.5) 3.09 4.12 -50.95 2 7 -1 108 350.734 6

Activity (Go SEA)

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