UCSF

ZINC21819285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.86 -2.98 -20.23 5 6 0 113 308.359 4
Hi High (pH 8-9.5) 1.86 -2.2 -52.79 4 6 -1 115 307.351 4

Activity (Go SEA)

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