UCSF

ZINC41513145

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

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) 3.96 6.33 -8.25 1 5 0 63 430.298 3
Hi High (pH 8-9.5) 3.96 6.91 -40.06 0 5 -1 66 429.29 3
Lo Low (pH 4.5-6) 3.96 8.63 -44.55 2 5 1 64 431.306 3

Activity (Go SEA)

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