UCSF

ZINC34980008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.27 7.66 -10.69 1 4 0 63 288.372 4
Hi High (pH 8-9.5) 3.73 5.92 -44.43 0 4 -1 66 287.364 4

Activity (Go SEA)

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