UCSF

ZINC34990609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.18 6.58 -13.98 1 4 0 63 294.763 4
Hi High (pH 8-9.5) 3.63 4.59 -44.66 0 4 -1 66 293.755 4

Activity (Go SEA)

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