UCSF

ZINC41540457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

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) 2.63 8.17 -67.48 0 7 -1 88 396.419 6
Lo Low (pH 4.5-6) 2.63 7.42 -17.79 1 7 0 85 397.427 6

Activity (Go SEA)

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