UCSF

ZINC41693407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) 0.58 2.74 -6.6 1 4 0 55 193.63 4
Hi High (pH 8-9.5) 0.77 0.52 -40.31 0 4 -1 62 192.622 4

Activity (Go SEA)

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