UCSF

ZINC01222250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2004 27 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) 1.85 -4.55 -21.67 1 8 0 97 409.537 7
Hi High (pH 8-9.5) 1.85 -3.98 -45.42 0 8 -1 99 408.529 7

Activity (Go SEA)

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