UCSF

ZINC05652631

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 17 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) 0.72 -9.79 -15.27 3 6 0 106 278.355 5
Hi High (pH 8-9.5) 0.72 -9.22 -42.69 2 6 -1 108 277.347 5

Activity (Go SEA)

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