UCSF

ZINC08578801

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2007 23 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) 3.47 9.63 -7.91 1 9 0 133 311.257 4
Hi High (pH 8-9.5) 3.47 9.49 -36.39 0 9 -1 132 310.249 4

Activity (Go SEA)

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