UCSF

ZINC07989878

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 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) 2.34 4.75 -44.26 2 4 1 51 301.819 3
Hi High (pH 8-9.5) 2.34 2.33 -7.36 1 4 0 49 300.811 3

Activity (Go SEA)

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