UCSF

ZINC31933121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 4.10 11.32 -44.27 1 3 1 22 300.813 3
Mid Mid (pH 6-8) 4.10 8.77 -8.65 0 3 0 21 299.805 3
Lo Low (pH 4.5-6) 4.10 11.76 -94.62 2 3 2 23 301.821 3

Activity (Go SEA)

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