UCSF

ZINC21857987

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.18 11.33 -42.84 2 7 1 68 467.634 6
Hi High (pH 8-9.5) 4.18 8.8 -10.33 1 7 0 67 466.626 6

Activity (Go SEA)

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