UCSF

ZINC32840706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

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) 4.50 9.93 -58.62 4 8 0 133 453.557 23
Hi High (pH 8-9.5) 4.50 9.51 -49.09 3 8 -1 131 452.549 23

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.