UCSF

ZINC39912381

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 5.51 11.26 -17.13 2 5 0 69 441.506 4
Hi High (pH 8-9.5) 5.28 11.34 -56.67 0 5 -1 68 440.498 4
Hi High (pH 8-9.5) 5.28 11.91 -50.23 0 5 -1 68 440.498 4
Hi High (pH 8-9.5) 5.51 12.79 -38.79 1 5 -1 72 440.498 4

Activity (Go SEA)

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