UCSF

ZINC31306368

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 26 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) 3.93 7.07 -21.75 3 5 0 78 348.402 4
Hi High (pH 8-9.5) 3.93 8.09 -67.39 2 5 -1 81 347.394 4

Activity (Go SEA)

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