UCSF

ZINC05516172

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 20 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) 4.66 -2.08 -8.17 1 3 0 46 289.4 4
Hi High (pH 8-9.5) 4.66 -1.5 -43.62 0 3 -1 48 288.392 4

Activity (Go SEA)

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