UCSF

ZINC39919068

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.94 8.81 -28.53 2 9 0 117 484.512 6
Lo Low (pH 4.5-6) 1.94 9.26 -56.35 3 9 1 118 485.52 6

Activity (Go SEA)

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