UCSF

ZINC19794362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.75 10 -114.14 0 9 -2 146 442.811 8
Lo Low (pH 4.5-6) 2.75 9.17 -58.33 1 9 -1 144 443.819 8

Activity (Go SEA)

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