UCSF

ZINC33121177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 3.54 8.25 -50.59 4 7 1 95 479.626 8
Hi High (pH 8-9.5) 3.54 8.32 -65.21 3 7 0 97 478.618 8
Hi High (pH 8-9.5) 3.54 6.84 -15.03 3 7 0 91 478.618 8

Activity (Go SEA)

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