UCSF

ZINC41701989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) 1.89 5.07 -17.98 1 3 0 42 223.659 2
Hi High (pH 8-9.5) 3.19 3.63 -42.42 0 3 -1 45 222.651 2

Activity (Go SEA)

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