UCSF

ZINC37834558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

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) 0.77 6.96 -58.81 0 6 -1 87 266.273 5
Lo Low (pH 4.5-6) 0.77 4.75 -10.43 1 6 0 84 267.281 5

Activity (Go SEA)

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