UCSF

ZINC36273502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 3.78 8.97 -41.73 3 6 1 66 353.446 6
Hi High (pH 8-9.5) 3.78 7.89 -11.54 2 6 0 65 352.438 6
Mid Mid (pH 6-8) 3.78 9.3 -96.64 4 6 2 67 354.454 6
Mid Mid (pH 6-8) 3.78 6.99 -29.2 3 6 1 66 353.446 6

Activity (Go SEA)

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