UCSF

ZINC20188571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 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) 2.10 3.2 -36.75 3 2 1 37 200.327 6
Hi High (pH 8-9.5) 2.10 1.88 -5.77 2 2 0 32 199.319 6

Activity (Go SEA)

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