UCSF

ZINC45889470

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2010 24 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) -0.28 1.9 -17.44 2 8 0 99 336.392 3
Hi High (pH 8-9.5) -0.10 -0.72 -48.17 1 8 -1 105 335.384 3

Activity (Go SEA)

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