UCSF

ZINC14277629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 42 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) 3.70 11.49 -55.06 1 13 -1 162 575.602 12
Mid Mid (pH 6-8) 3.70 11.86 -59.55 2 13 0 163 576.61 12

Activity (Go SEA)

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