UCSF

ZINC10211687

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2007 31 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) 4.47 -2.6 -15.34 1 7 0 92 444.553 10
Hi High (pH 8-9.5) 4.47 -2.03 -49.94 0 7 -1 94 443.545 10

Activity (Go SEA)

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