UCSF

ZINC38580950

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 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) -2.58 -4.09 -63.61 8 10 1 167 283.268 2
Hi High (pH 8-9.5) -2.58 -4.53 -20.53 7 10 0 165 282.26 2

Activity (Go SEA)

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