UCSF

ZINC05577602

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 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) 3.70 6.33 -13.52 3 7 0 114 406.829 4
Lo Low (pH 4.5-6) 3.70 6.6 -62.98 4 7 1 116 407.837 4

Activity (Go SEA)

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