UCSF

ZINC34887007

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 10 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) -0.31 1.31 -39.71 2 3 1 34 141.194 0
Hi High (pH 8-9.5) -0.31 -1.06 -7.59 1 3 0 32 140.186 0

Activity (Go SEA)

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