UCSF

ZINC27875499

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 20 No

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) -0.17 -8.98 -55.32 3 9 -1 137 301.666 2
Mid Mid (pH 6-8) -0.62 -7.96 -21.48 4 9 0 133 302.674 2

Activity (Go SEA)

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