UCSF

ZINC25769008

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 29 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) 3.87 7.8 -24.01 2 6 0 88 431.514 6
Hi High (pH 8-9.5) 3.87 7.87 -57.94 1 6 -1 90 430.506 6

Activity (Go SEA)

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