UCSF

ZINC07687009

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2006 24 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) 3.74 9.7 -45.35 2 4 1 43 327.448 8
Hi High (pH 8-9.5) 3.74 7.46 -10.4 1 4 0 42 326.44 8

Activity (Go SEA)

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