UCSF

ZINC36272030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 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) 4.43 11.74 -44.3 3 5 1 51 392.571 5
Hi High (pH 8-9.5) 4.43 9.46 -9.33 2 5 0 50 391.563 5
Mid Mid (pH 6-8) 4.43 10.9 -76.16 4 5 2 52 393.579 5
Mid Mid (pH 6-8) 4.43 10.54 -38.29 3 5 1 51 392.571 5

Activity (Go SEA)

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