UCSF

ZINC44201954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 40 No

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) -5.77 -17.27 -412.27 21 17 5 315 585.676 8
Hi High (pH 8-9.5) -5.77 -19.4 -114.68 18 17 2 307 582.652 8
Hi High (pH 8-9.5) -5.77 -19.16 -143.19 18 17 2 307 582.652 8
Mid Mid (pH 6-8) -5.77 -17.52 -265.05 20 17 4 313 584.668 8
Mid Mid (pH 6-8) -5.77 -17.71 -311.88 20 17 4 313 584.668 8

Activity (Go SEA)

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