UCSF

ZINC04550928

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 19 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) 3.10 9.26 -25.36 2 5 1 60 254.317 1
Hi High (pH 8-9.5) 3.10 8.91 -9.32 1 5 0 59 253.309 1

Activity (Go SEA)

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