UCSF

ZINC23360149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 4.47 9.5 -15.44 1 6 0 73 397.928 9
Hi High (pH 8-9.5) 4.53 8.59 -42.23 0 6 -1 80 396.92 9

Activity (Go SEA)

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