UCSF

ZINC07343015

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 12 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) 2.43 3.69 -7.91 1 3 0 46 184.264 2
Hi High (pH 8-9.5) 2.89 1.56 -45.46 0 3 -1 49 183.256 2

Activity (Go SEA)

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