UCSF

ZINC00734620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.26 13.62 -56.6 1 6 1 56 449.962 8
Hi High (pH 8-9.5) 4.26 11.09 -10.01 0 6 0 55 448.954 8

Activity (Go SEA)

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