UCSF

ZINC40102260

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) 4.05 9.42 -63.72 1 7 -1 99 484.528 11
Lo Low (pH 4.5-6) 4.05 8.66 -16.43 2 7 0 96 485.536 11

Activity (Go SEA)

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