UCSF

ZINC33677097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 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) 2.19 9.23 -15.05 0 8 0 79 471.646 8
Mid Mid (pH 6-8) 2.19 11.56 -53.48 1 8 1 80 472.654 8

Activity (Go SEA)

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