UCSF

ZINC20180867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 1.61 2.81 -12.49 0 5 0 64 299.783 3
Lo Low (pH 4.5-6) 1.61 5.18 -59.22 1 5 1 66 300.791 3

Activity (Go SEA)

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