UCSF

ZINC62961525

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 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) -1.34 -5.03 -44.06 0 5 -1 87 202.211 0
Lo Low (pH 4.5-6) -1.52 -2.48 -15.88 1 5 0 80 203.219 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.