UCSF

ZINC38694649

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 33 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) 5.01 7.43 -15.84 1 7 0 93 486.615 6
Mid Mid (pH 6-8) 5.01 7.55 -56.68 0 7 -1 95 485.607 6

Activity (Go SEA)

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