UCSF

ZINC04475123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 36 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) 1.61 4.51 -62.53 6 13 -1 201 498.52 10
Lo Low (pH 4.5-6) 1.61 4.88 -71.73 7 13 0 202 499.528 10

Activity (Go SEA)

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