UCSF

ZINC24986086

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 33 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) 1.76 7.35 -42.98 4 8 1 101 472.635 8
Hi High (pH 8-9.5) 1.76 6.89 -15.24 3 8 0 99 471.627 8
Mid Mid (pH 6-8) 1.76 8.07 -54.74 4 8 1 104 472.635 8

Activity (Go SEA)

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