UCSF

ZINC10370825

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2007 31 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) 3.39 -4.72 -16.07 3 7 0 104 437.521 7
Hi High (pH 8-9.5) 3.39 -4.14 -54.16 2 7 -1 106 436.513 7

Activity (Go SEA)

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