UCSF

ZINC07373226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 21 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) 2.37 3.59 -12 2 5 0 75 302.355 3
Hi High (pH 8-9.5) 2.37 3.64 -45.4 1 5 -1 77 301.347 3

Activity (Go SEA)

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