UCSF

ZINC40052623

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 35 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) 3.74 8.58 -65.04 1 8 -1 116 480.537 11
Lo Low (pH 4.5-6) 3.74 7.84 -21.5 2 8 0 113 481.545 11

Activity (Go SEA)

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