UCSF

ZINC40038482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 4.08 8.73 -12.4 1 5 0 68 329.425 4
Hi High (pH 8-9.5) 4.14 6.98 -52.42 0 5 -1 74 328.417 4

Activity (Go SEA)

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