UCSF

ZINC52289269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 10 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) -0.40 0.25 -41.86 4 3 1 57 143.21 2
Hi High (pH 8-9.5) -0.40 -0.09 -7.44 3 3 0 55 142.202 2

Activity (Go SEA)

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