UCSF

ZINC36642801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 2.73 5.94 -49.89 1 8 1 82 408.529 7
Hi High (pH 8-9.5) 2.73 3.87 -11.99 0 8 0 81 407.521 7

Activity (Go SEA)

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