UCSF

ZINC22455693

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 16 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) 1.41 6.29 -80.39 2 3 2 12 227.396 3
Hi High (pH 8-9.5) 1.41 4.06 -33.75 1 3 1 11 226.388 3
Lo Low (pH 4.5-6) 1.41 6.34 -98.04 2 3 2 12 227.396 3

Activity (Go SEA)

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