UCSF

ZINC35304511

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) -0.41 6.91 -36.87 1 5 0 65 228.292 7
Hi High (pH 8-9.5) -0.41 4.71 -52.13 0 5 -1 64 227.284 7

Activity (Go SEA)

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