UCSF

ZINC30977781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 39 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) 7.06 16.4 -55.8 2 6 1 72 523.701 8
Mid Mid (pH 6-8) 7.06 14.11 -15.62 1 6 0 71 522.693 8

Activity (Go SEA)

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