UCSF

ZINC05524356

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 25 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) 4.54 6.6 -7.13 2 5 0 67 372.265 7
Ref Reference (pH 7) 4.16 4.69 -10.11 2 5 0 71 372.265 8
Hi High (pH 8-9.5) 4.16 5.29 -39.41 1 5 -1 74 371.257 8

Activity (Go SEA)

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