UCSF

ZINC41545594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 2.56 5.8 -18.86 2 7 0 93 372.45 3
Hi High (pH 8-9.5) 2.75 4.54 -49.42 1 7 -1 100 371.442 3

Activity (Go SEA)

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