UCSF

ZINC50224238

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 18 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) -0.80 0.73 -59.87 3 7 1 88 254.314 3
Hi High (pH 8-9.5) -0.80 0.33 -18.98 2 7 0 86 253.306 3

Activity (Go SEA)

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