UCSF

ZINC38003912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 3.54 6.83 -8.53 1 3 0 46 248.713 2
Hi High (pH 8-9.5) 3.99 5.03 -46.93 0 3 -1 49 247.705 2

Activity (Go SEA)

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