UCSF

ZINC23127360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 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) -0.32 3.03 -40.8 3 6 1 72 284.38 7
Hi High (pH 8-9.5) -0.32 0.69 -7.11 2 6 0 71 283.372 7

Activity (Go SEA)

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