UCSF

ZINC31946270

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 0.20 4.8 -18.47 1 5 0 50 258.325 2
Mid Mid (pH 6-8) 0.20 6.17 -59.03 2 5 1 54 259.333 2
Lo Low (pH 4.5-6) 0.20 6.58 -88.72 3 5 2 55 260.341 2

Activity (Go SEA)

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