UCSF

ZINC22975354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 4.23 12.44 -25.92 1 7 0 90 467.62 8
Hi High (pH 8-9.5) 4.42 11.37 -52.96 0 7 -1 96 466.612 8

Activity (Go SEA)

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