UCSF

ZINC56522526

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2011 22 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) 3.04 11.02 -96.54 2 4 2 42 303.45 7
Hi High (pH 8-9.5) 3.04 8.79 -39.51 1 4 1 41 302.442 7

Activity (Go SEA)

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