UCSF

ZINC01148356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 4.19 -7.92 -15.71 2 8 0 110 482.967 8
Hi High (pH 8-9.5) 4.19 -6.79 -98.1 0 8 -2 114 480.951 8
Hi High (pH 8-9.5) 4.19 -7.34 -43.18 1 8 -1 112 481.959 8
Hi High (pH 8-9.5) 4.19 -7.36 -49.85 1 8 -1 112 481.959 8

Activity (Go SEA)

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