UCSF

ZINC07341975

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 24 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) 4.17 9.68 -11.36 1 5 0 60 341.436 7
Hi High (pH 8-9.5) 4.17 9.48 -50.24 0 5 -1 58 340.428 7

Activity (Go SEA)

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