UCSF

ZINC39766424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 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) 3.01 7.32 -15 2 6 0 80 358.398 7
Mid Mid (pH 6-8) 3.01 7.13 -49.11 1 6 -1 78 357.39 7

Activity (Go SEA)

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