UCSF

ZINC31911962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) -0.37 4.1 -53.75 3 3 1 45 176.243 1
Hi High (pH 8-9.5) -0.37 3.77 -10.47 2 3 0 43 175.235 1
Mid Mid (pH 6-8) -0.37 4.51 -96.96 4 3 2 46 177.251 1

Activity (Go SEA)

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