UCSF

ZINC39742134

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 3.18 11.7 -22.87 1 9 0 104 502.666 11
Hi High (pH 8-9.5) 3.36 10.07 -54.56 0 9 -1 110 501.658 11

Activity (Go SEA)

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