UCSF

ZINC04164516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 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) 2.93 9.43 -17.09 1 7 0 92 408.483 5
Hi High (pH 8-9.5) 3.00 7.77 -52.16 0 7 -1 99 407.475 5

Activity (Go SEA)

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