UCSF

ZINC34951726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.92 3.04 -11.01 2 5 0 76 266.293 4
Hi High (pH 8-9.5) 2.92 4.04 -58.45 1 5 -1 79 265.285 4

Activity (Go SEA)

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