UCSF

ZINC34948657

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) 4.39 9.6 -13.97 1 7 0 63 455.599 10
Mid Mid (pH 6-8) 4.39 11.86 -56.45 2 7 1 64 456.607 10

Activity (Go SEA)

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