UCSF

ZINC16533565

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 35 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) 5.56 12.43 -11.03 1 7 0 71 492.023 3
Mid Mid (pH 6-8) 5.56 13.93 -41.65 2 7 1 72 493.031 3

Activity (Go SEA)

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