UCSF

ZINC43476651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 No

Download: MOL2 SDF SMILES Flexibase

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) 1.40 0.74 -67.54 3 4 1 71 276.765 3
Hi High (pH 8-9.5) 1.40 1.51 -78.89 2 4 0 74 275.757 3

Activity (Go SEA)

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