UCSF

ZINC19394644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -1.24 1.92 -59.49 1 5 -1 81 208.193 3
Hi High (pH 8-9.5) -1.24 2.72 -101.71 0 5 -2 83 207.185 3

Activity (Go SEA)

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