UCSF

ZINC59598617

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 35 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) 6.13 14.37 -107.88 0 8 -2 124 486.505 7
Lo Low (pH 4.5-6) 1.91 14.77 -103.42 1 8 -1 122 487.513 8

Activity (Go SEA)

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