UCSF

ZINC35501244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 20 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) 2.29 5.83 -46.1 2 4 1 48 293.774 5
Hi High (pH 8-9.5) 2.29 4.99 -6.78 1 4 0 43 292.766 5

Activity (Go SEA)

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