UCSF

ZINC21790970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 0.91 5.6 -10.89 2 5 0 72 368.256 6
Lo Low (pH 4.5-6) 0.91 6.05 -47.8 3 5 1 74 369.264 6

Activity (Go SEA)

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