UCSF

ZINC29788439

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 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) 4.12 6.16 -20.52 2 5 0 71 318.398 3
Mid Mid (pH 6-8) 4.12 7.19 -66.45 1 5 -1 74 317.39 3

Activity (Go SEA)

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