UCSF

ZINC04643558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2005 35 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) 4.89 8.66 -13 3 7 0 99 489.959 6
Hi High (pH 8-9.5) 4.87 9.23 -43.52 1 7 -1 98 488.951 6
Hi High (pH 8-9.5) 4.87 8.92 -54.04 1 7 -1 98 488.951 6
Hi High (pH 8-9.5) 4.89 9.8 -39.66 2 7 -1 102 488.951 6
Mid Mid (pH 6-8) 4.89 9.43 -48.46 2 7 -1 102 488.951 6

Activity (Go SEA)

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