UCSF

ZINC39745067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 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) 4.23 3.27 -29.38 3 9 0 127 430.42 6
Hi High (pH 8-9.5) 4.30 1.13 -73.79 2 9 -1 133 429.412 6

Activity (Go SEA)

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