UCSF

ZINC38000789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.34 1.59 -44.2 4 4 1 60 228.36 5
Hi High (pH 8-9.5) 1.34 0.34 -44.18 4 4 1 63 228.36 5
Lo Low (pH 4.5-6) 1.34 2.79 -124.55 5 4 2 64 229.368 5

Activity (Go SEA)

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