UCSF

ZINC35268083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 30 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) 4.39 10.21 -27.29 2 7 0 87 421.526 5
Hi High (pH 8-9.5) 4.57 9.42 -63.05 1 7 -1 94 420.518 5

Activity (Go SEA)

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