UCSF

ZINC35155831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 28 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) 2.97 7.41 -21.3 1 7 0 84 416.528 9
Hi High (pH 8-9.5) 3.15 6.17 -47.89 0 7 -1 91 415.52 9

Activity (Go SEA)

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