UCSF

ZINC33731783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 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) 4.98 10.88 -46.42 2 5 1 50 431.651 8
Mid Mid (pH 6-8) 4.98 8.64 -13.66 1 5 0 48 430.643 8

Activity (Go SEA)

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