UCSF

ZINC33121046

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) 3.45 8.21 -51.2 4 7 1 95 479.626 7
Hi High (pH 8-9.5) 3.45 6.79 -16.38 3 7 0 91 478.618 7
Hi High (pH 8-9.5) 3.45 8.27 -65.25 3 7 0 97 478.618 7

Activity (Go SEA)

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