UCSF

ZINC07811057

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 29 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) 1.17 8.79 -23.56 1 7 0 86 390.443 5
Hi High (pH 8-9.5) 1.63 6.49 -70 0 7 -1 89 389.435 5

Activity (Go SEA)

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