UCSF

ZINC32605126

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.64 9.02 -47.2 2 5 0 75 442.7 2
Hi High (pH 8-9.5) 4.94 8.6 -47.61 1 5 -1 78 441.692 2

Activity (Go SEA)

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