UCSF

ZINC28653506

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 20 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) -0.90 -4.57 -18.19 4 8 0 125 349.137 3
Hi High (pH 8-9.5) -0.44 -6.37 -54.41 3 8 -1 128 348.129 3

Activity (Go SEA)

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