UCSF

ZINC01467608

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 35 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) 4.86 13.2 -62.78 0 6 -1 83 469.561 8
Lo Low (pH 4.5-6) 4.86 1.3 -47.61 2 6 1 80 471.577 8
Lo Low (pH 4.5-6) 4.28 1.16 -59.27 1 6 1 77 471.577 8

Activity (Go SEA)

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