UCSF

ZINC22007655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 1.62 1.98 -43.97 2 4 1 32 248.35 3
Hi High (pH 8-9.5) 1.62 0.41 -4.35 1 4 0 28 247.342 3
Lo Low (pH 4.5-6) 1.62 2.66 -38.96 2 4 1 29 248.35 3

Activity (Go SEA)

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