UCSF

ZINC20315034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 23 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) 2.51 7.01 -60.86 1 4 -1 69 304.325 4
Lo Low (pH 4.5-6) 2.51 6.05 -15.87 2 4 0 66 305.333 4

Activity (Go SEA)

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