UCSF

ZINC34675669

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 25 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) 4.17 10.1 -43 1 4 1 42 359.515 5
Hi High (pH 8-9.5) 4.17 7.86 -9.32 0 4 0 41 358.507 5

Activity (Go SEA)

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