UCSF

ZINC36274841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.28 10.91 -39.47 3 4 1 48 355.893 3
Hi High (pH 8-9.5) 4.28 8.7 -8.31 2 4 0 47 354.885 3
Lo Low (pH 4.5-6) 4.28 11.24 -92.63 4 4 2 49 356.901 3

Activity (Go SEA)

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