UCSF

ZINC22860580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 38 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) 6.69 13.35 -16.69 1 7 0 82 525.63 7
Hi High (pH 8-9.5) 6.88 13.13 -52.56 0 7 -1 88 524.622 7

Activity (Go SEA)

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