UCSF

ZINC15855989

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 23 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) 0.55 6.65 -49.36 2 5 1 59 311.409 5
Lo Low (pH 4.5-6) 0.55 6.93 -93.91 3 5 2 61 312.417 5
Lo Low (pH 4.5-6) 0.55 6.93 -112.15 3 5 2 61 312.417 5
Lo Low (pH 4.5-6) 0.55 7.21 -166.43 4 5 3 62 313.425 5

Activity (Go SEA)

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