UCSF

ZINC31961015

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.30 2.19 -54.75 5 6 1 95 286.359 7
Mid Mid (pH 6-8) -0.30 2.65 -97.34 6 6 2 96 287.367 7
Lo Low (pH 4.5-6) -0.30 3.09 -154.15 7 6 3 97 288.375 7

Activity (Go SEA)

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