UCSF

ZINC05115629

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 30 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) 5.23 13.08 -63.04 1 5 1 47 420.558 7
Hi High (pH 8-9.5) 5.23 10.75 -18.42 0 5 0 46 419.55 7

Activity (Go SEA)

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