UCSF

ZINC31977417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) -0.16 2.53 -58.61 1 6 -1 82 307.37 5
Mid Mid (pH 6-8) -0.16 4.87 -84.07 2 6 0 83 308.378 5
Lo Low (pH 4.5-6) -0.16 3.74 -49.83 3 6 1 80 309.386 5

Activity (Go SEA)

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