UCSF

ZINC38628966

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 3.84 9.18 -40.11 2 3 1 34 317.478 5
Mid Mid (pH 6-8) 3.84 7.32 -7.23 1 3 0 32 316.47 5

Activity (Go SEA)

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