UCSF

ZINC33587767

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 30 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) 5.42 10.96 -10.4 1 5 0 45 429.992 8
Mid Mid (pH 6-8) 5.42 13.22 -55.06 2 5 1 46 431 8

Activity (Go SEA)

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