UCSF

ZINC47613519

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 22 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) 1.72 4.31 -40.56 3 6 1 72 308.402 9
Hi High (pH 8-9.5) 1.72 2.09 -10.6 2 6 0 71 307.394 9

Activity (Go SEA)

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