UCSF

ZINC40076116

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 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) 3.84 10.09 -60.55 0 6 -1 79 408.474 9
Lo Low (pH 4.5-6) 3.84 9.33 -14.98 1 6 0 76 409.482 9

Activity (Go SEA)

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