UCSF

ZINC60219248

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) 3.35 7.42 -36.16 2 3 1 38 309.433 3
Hi High (pH 8-9.5) 3.35 5.79 -5.24 1 3 0 36 308.425 3
Lo Low (pH 4.5-6) 3.35 7.88 -94.94 3 3 2 39 310.441 3

Activity (Go SEA)

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