UCSF

ZINC05258551

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 18 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) -0.27 3.49 -13.46 4 8 0 111 252.278 3
Lo Low (pH 4.5-6) -0.27 3.28 -64.61 5 8 1 112 253.286 3

Activity (Go SEA)

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