UCSF

ZINC00698257

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) 2.86 9.51 -21.69 1 7 0 83 448.976 8
Hi High (pH 8-9.5) 2.68 8.44 -50.26 0 7 -1 89 447.968 8

Activity (Go SEA)

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