UCSF

ZINC22196702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 34 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) 4.55 5.52 -29.13 3 8 0 118 480.542 8
Hi High (pH 8-9.5) 4.55 6.31 -53.73 2 8 -1 121 479.534 8

Activity (Go SEA)

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