UCSF

ZINC31961355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -0.21 -0.47 -52.45 5 5 1 82 195.246 4
Mid Mid (pH 6-8) -0.21 -0.86 -12.35 4 5 0 80 194.238 4
Mid Mid (pH 6-8) -0.21 -0.01 -95.99 6 5 2 83 196.254 4

Activity (Go SEA)

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