UCSF

ZINC09275130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 22 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) 4.44 4.74 -12.47 1 5 0 68 423.064 3
Hi High (pH 8-9.5) 4.51 2.61 -44.47 0 5 -1 74 422.056 3

Activity (Go SEA)

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