UCSF

ZINC16953470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 31 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) 4.41 13.8 -19.07 1 6 0 69 436.512 5
Hi High (pH 8-9.5) 4.59 13.72 -46.48 0 6 -1 71 435.504 5

Activity (Go SEA)

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