UCSF

ZINC31910208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 3.13 8.07 -38.18 3 4 1 48 273.404 3
Hi High (pH 8-9.5) 3.13 6.45 -10.22 2 4 0 47 272.396 3
Mid Mid (pH 6-8) 3.13 8.47 -82.09 4 4 2 49 274.412 3

Activity (Go SEA)

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