UCSF

ZINC31943369

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 3.52 10.25 -23.89 1 5 0 71 332.407 4
Mid Mid (pH 6-8) 3.52 10.65 -43.47 2 5 1 72 333.415 4

Activity (Go SEA)

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