UCSF

ZINC20190294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.89 10.46 -66.68 1 6 0 74 442.943 9
Hi High (pH 8-9.5) 3.89 8.17 -56.65 0 6 -1 73 441.935 9
Lo Low (pH 4.5-6) 3.89 9.64 -49.87 2 6 1 71 443.951 9

Activity (Go SEA)

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