UCSF

ZINC21797307

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) 0.71 -0.66 -70.11 6 6 1 117 306.367 4
Hi High (pH 8-9.5) 0.71 -1.05 -20.87 5 6 0 115 305.359 4

Activity (Go SEA)

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