UCSF

ZINC00795030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 30 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) 3.72 9.35 -62.35 0 6 -1 83 408.474 6
Lo Low (pH 4.5-6) 3.72 8.6 -11.87 1 6 0 80 409.482 6

Activity (Go SEA)

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