UCSF

ZINC35081404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 0.30 3.78 -73.99 4 5 2 51 251.378 4
Hi High (pH 8-9.5) 0.30 1.31 -30.38 3 5 1 50 250.37 4
Lo Low (pH 4.5-6) 0.30 6.02 -169.77 5 5 3 52 252.386 4

Activity (Go SEA)

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