UCSF

ZINC36150305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 2.71 8.39 -49.26 2 4 1 46 332.855 7
Hi High (pH 8-9.5) 2.90 7.41 -39.13 1 4 0 53 331.847 7
Lo Low (pH 4.5-6) 2.71 8.88 -85.19 3 4 2 48 333.863 7

Activity (Go SEA)

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