UCSF

ZINC02636115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 29 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) 5.77 -3.56 -13.31 1 4 0 59 416.527 4
Hi High (pH 8-9.5) 5.77 -2.99 -50.53 0 4 -1 61 415.519 4

Activity (Go SEA)

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