UCSF

ZINC04597995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 26 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) 4.42 13.81 -8.82 1 6 0 69 372.856 4
Hi High (pH 8-9.5) 4.60 13.88 -39.88 0 6 -1 71 371.848 4

Activity (Go SEA)

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