UCSF

ZINC18266194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 19 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) 3.16 5.94 -9.64 1 4 0 55 252.273 2
Hi High (pH 8-9.5) 3.61 4.11 -50.12 0 4 -1 58 251.265 2

Activity (Go SEA)

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