UCSF

ZINC33904092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 31 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) 3.62 8.82 -13.08 0 7 0 60 421.497 5
Mid Mid (pH 6-8) 3.62 11.04 -55.24 1 7 1 61 422.505 5

Activity (Go SEA)

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