UCSF

ZINC40893428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 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) 4.52 8.09 -61.92 4 7 1 101 462.551 6
Hi High (pH 8-9.5) 4.52 7.68 -13.64 3 7 0 99 461.543 6

Activity (Go SEA)

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