UCSF

ZINC33737364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 19 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) 3.75 7.83 -18.99 1 3 0 42 319.188 4
Hi High (pH 8-9.5) 3.93 6.74 -38.85 0 3 -1 48 318.18 4

Activity (Go SEA)

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