UCSF

ZINC21737001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 5.44 8.44 -9.26 0 6 0 62 464.635 7
Lo Low (pH 4.5-6) 5.44 10.4 -47.36 1 6 1 64 465.643 7

Activity (Go SEA)

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