UCSF

ZINC34319583

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 20 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) 4.35 5.3 -6.77 2 4 0 67 278.348 0
Hi High (pH 8-9.5) 4.35 6.3 -50.38 1 4 -1 70 277.34 0

Activity (Go SEA)

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