UCSF

ZINC05887833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 2.48 8.47 -56.24 1 7 -1 85 325.377 4
Lo Low (pH 4.5-6) 1.75 8.36 -15.34 2 7 0 88 326.385 4

Activity (Go SEA)

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