UCSF

ZINC20315015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 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 9.55 -61.51 0 4 -1 60 318.352 4
Lo Low (pH 4.5-6) 2.75 8.59 -15.08 1 4 0 58 319.36 4

Activity (Go SEA)

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