UCSF

ZINC40080531

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 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) 2.99 7.86 -65.76 1 9 -1 125 496.536 13
Lo Low (pH 4.5-6) 2.99 7.11 -21.02 2 9 0 123 497.544 13

Activity (Go SEA)

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