UCSF

ZINC33820824

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 28 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) 3.86 9.82 -53.98 1 4 -1 77 385.524 4
Lo Low (pH 4.5-6) 3.86 7.84 -16.12 2 4 0 75 386.532 4

Activity (Go SEA)

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