UCSF

ZINC30422493

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2009 18 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) -0.55 -2.51 -19.9 1 7 0 93 300.402 5
Hi High (pH 8-9.5) -0.55 -2.92 -40.65 0 7 -1 95 299.394 5

Activity (Go SEA)

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