UCSF

ZINC34934237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 3.24 5.97 -9.93 2 8 0 83 454.571 8
Mid Mid (pH 6-8) 3.24 8.82 -49.67 3 8 1 84 455.579 8

Activity (Go SEA)

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