UCSF

ZINC09331843

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 19 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) 3.45 6.92 -18.63 1 4 0 55 334.253 4
Hi High (pH 8-9.5) 3.97 5.84 -44.51 0 4 -1 61 333.245 4

Activity (Go SEA)

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