UCSF

ZINC28839637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 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 7.69 -22.26 2 6 0 80 369.446 5
Hi High (pH 8-9.5) 4.54 6.78 -59.52 1 6 -1 87 368.438 5

Activity (Go SEA)

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