UCSF

ZINC04845287

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 17 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) 4.22 9.02 -37.38 1 2 1 14 275.199 4
Hi High (pH 8-9.5) 4.22 6.82 -3.04 0 2 0 12 274.191 4

Activity (Go SEA)

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