UCSF

ZINC27586339

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 12 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) -1.44 3.79 -11.22 0 5 0 70 172.136 3
Hi High (pH 8-9.5) -0.86 3.87 -38.27 0 5 -1 76 171.128 2

Activity (Go SEA)

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