UCSF

ZINC21813995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 1.05 0.27 -18.32 4 6 0 105 279.321 3
Hi High (pH 8-9.5) 1.05 0.34 -50.86 3 6 -1 107 278.313 3
Hi High (pH 8-9.5) 1.05 0.72 -51.25 3 6 -1 108 278.313 3

Activity (Go SEA)

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