UCSF

ZINC52870178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.31 8.55 -46.48 2 5 1 52 319.425 6
Hi High (pH 8-9.5) 4.13 7.69 -33.97 1 5 0 58 318.417 6

Activity (Go SEA)

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