UCSF

ZINC44198094

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 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) -1.18 1.12 -56.61 4 3 1 72 177.227 3
Mid Mid (pH 6-8) -1.18 0.77 -7.39 3 3 0 70 176.219 3

Activity (Go SEA)

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