UCSF

ZINC25500129

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 2.30 8.64 -17.13 4 9 0 134 429.484 2
Lo Low (pH 4.5-6) 2.30 8.79 -47.76 5 9 1 136 430.492 2

Activity (Go SEA)

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