UCSF

ZINC07746012

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 22 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) 2.28 -5.82 -12.7 2 5 0 75 334.422 4
Hi High (pH 8-9.5) 2.28 -5.24 -40.77 1 5 -1 77 333.414 4

Activity (Go SEA)

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