UCSF

ZINC04643441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2005 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.52 4.77 -14.03 3 7 0 99 393.443 6
Hi High (pH 8-9.5) 3.50 5.54 -52.77 1 7 -1 98 392.435 6
Hi High (pH 8-9.5) 3.50 5.48 -57.98 1 7 -1 98 392.435 6
Hi High (pH 8-9.5) 3.52 5.85 -38.75 2 7 -1 102 392.435 6
Mid Mid (pH 6-8) 3.52 5.54 -52.12 2 7 -1 102 392.435 6

Activity (Go SEA)

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