UCSF

ZINC30945000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 38 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) 3.90 10.65 -15.43 0 7 0 64 532.71 6
Mid Mid (pH 6-8) 3.90 12.97 -62.89 1 7 1 65 533.718 6

Activity (Go SEA)

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