UCSF

ZINC00696166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 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) 2.72 13.29 -44.48 1 5 1 45 432.585 9
Hi High (pH 8-9.5) 2.72 10.76 -16.91 0 5 0 44 431.577 9

Activity (Go SEA)

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