UCSF

ZINC34622843

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) 2.96 9.15 -57.74 4 6 1 92 391.513 10
Hi High (pH 8-9.5) 2.96 8.76 -10.45 3 6 0 91 390.505 10

Activity (Go SEA)

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