UCSF

ZINC39645383

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 26 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) -1.20 4.93 -65.4 3 7 -1 116 372.426 5
Lo Low (pH 4.5-6) -1.20 5.24 -88.63 4 7 0 117 373.434 5

Activity (Go SEA)

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