UCSF

ZINC40096639

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 1.17 4.86 -62.27 1 10 -1 145 425.373 6
Lo Low (pH 4.5-6) 1.17 4.12 -19.1 2 10 0 142 426.381 6

Activity (Go SEA)

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