UCSF

ZINC31678765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 27 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) 3.97 6.84 -32.98 3 6 0 96 363.369 6
Mid Mid (pH 6-8) 3.97 7.87 -79.55 2 6 -1 99 362.361 6

Activity (Go SEA)

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