UCSF

ZINC04963092

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 21 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) -2.02 -0.41 -25.46 5 9 0 131 313.339 3
Hi High (pH 8-9.5) -1.29 -0.83 -56.31 4 9 -1 129 312.331 3

Activity (Go SEA)

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