UCSF

ZINC46437736

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 1.76 8.12 -39.74 1 5 1 49 282.36 9
Hi High (pH 8-9.5) 1.76 5.77 -7.61 0 5 0 48 281.352 9

Activity (Go SEA)

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