UCSF

ZINC01956838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 29 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) 5.79 12.26 -11.69 1 5 0 65 435.973 6
Hi High (pH 8-9.5) 5.97 10.4 -45.2 0 5 -1 71 434.965 6

Activity (Go SEA)

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