UCSF

ZINC40053944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 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) 3.72 7.89 -66.15 1 8 -1 108 496.58 13
Lo Low (pH 4.5-6) 3.72 7.12 -20.89 2 8 0 106 497.588 13

Activity (Go SEA)

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