UCSF

ZINC44861938

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 14 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) -0.79 -0.93 -48.32 5 6 1 92 203.266 5
Hi High (pH 8-9.5) -0.60 -2.72 -36.59 4 6 0 98 202.258 5

Activity (Go SEA)

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