UCSF

ZINC48941812

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) -0.29 5.08 -28.61 1 8 0 94 290.308 3
Hi High (pH 8-9.5) -0.10 3.76 -59.77 0 8 -1 101 289.3 3

Activity (Go SEA)

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