UCSF

ZINC50032215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 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) 2.30 9.77 -42.96 1 5 1 57 288.408 11
Mid Mid (pH 6-8) 2.30 7.84 -7.08 0 5 0 56 287.4 11

Activity (Go SEA)

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