UCSF

ZINC16447794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 35 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) 4.21 6.91 -13.98 3 8 0 108 479.577 9
Hi High (pH 8-9.5) 4.21 7.72 -49.97 2 8 -1 111 478.569 9

Activity (Go SEA)

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