UCSF

ZINC53399165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.22 6.86 -47.9 1 5 1 51 257.354 6
Mid Mid (pH 6-8) 0.22 4.62 -10.51 0 5 0 50 256.346 6

Activity (Go SEA)

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