UCSF

ZINC41362551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 2.15 6.45 -43.08 2 5 1 46 306.43 7
Hi High (pH 8-9.5) 2.15 6.33 -45.51 2 5 1 46 306.43 7
Hi High (pH 8-9.5) 2.15 4.08 -12.66 1 5 0 45 305.422 7

Activity (Go SEA)

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