UCSF

ZINC27846747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) 4.14 11.99 -58.69 1 4 1 40 396.551 3
Hi High (pH 8-9.5) 4.14 11.67 -13.09 0 4 0 39 395.543 3

Activity (Go SEA)

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