UCSF

ZINC60703969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 16 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) 2.31 6.75 -37.11 2 2 1 26 242.77 7
Hi High (pH 8-9.5) 2.31 6.12 -2.87 1 2 0 21 241.762 7

Activity (Go SEA)

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