UCSF

ZINC36274446

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) 3.01 9.35 -43.84 3 5 1 61 336.463 3
Hi High (pH 8-9.5) 3.01 8.75 -10.44 2 5 0 59 335.455 3
Lo Low (pH 4.5-6) 3.01 9.91 -92.29 4 5 2 62 337.471 3

Activity (Go SEA)

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