UCSF

ZINC39747681

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 27 No

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) 3.99 9.99 -16.28 2 8 0 116 383.433 6
Mid Mid (pH 6-8) 3.99 9.79 -45.72 1 8 -1 115 382.425 6

Activity (Go SEA)

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