UCSF

ZINC34603372

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 0.08 0.83 -66.81 7 8 1 127 400.569 13
Hi High (pH 8-9.5) 0.08 0.45 -25.12 6 8 0 125 399.561 13

Activity (Go SEA)

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