UCSF

ZINC19965887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 2.01 3.46 -55.48 0 5 -1 65 255.681 2
Lo Low (pH 4.5-6) 2.01 3.76 -33.5 1 5 0 67 256.689 2

Activity (Go SEA)

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