UCSF

ZINC42877468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 38 No

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) -4.24 -4.41 -57.54 10 15 1 237 541.63 12
Hi High (pH 8-9.5) -4.24 -4.72 -23.23 9 15 0 235 540.622 12

Activity (Go SEA)

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