UCSF

ZINC04706841

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 24 No

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 5.53 -70.52 5 7 1 115 349.798 6
Hi High (pH 8-9.5) 2.43 5.14 -17.02 4 7 0 113 348.79 6

Activity (Go SEA)

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