UCSF

ZINC34614532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 4.14 13.17 -54.78 1 2 1 22 346.494 3
Hi High (pH 8-9.5) 4.14 11.06 -7.48 0 2 0 20 345.486 3

Activity (Go SEA)

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