UCSF

ZINC43453993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

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 6.53 -54.93 1 5 0 65 230.308 8
Hi High (pH 8-9.5) -0.32 4.37 -48.91 0 5 -1 64 229.3 8

Activity (Go SEA)

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