UCSF

ZINC44517789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 5.12 11.09 -109.79 3 2 2 21 351.749 5
Hi High (pH 8-9.5) 5.12 10.1 -35.9 2 2 1 16 350.741 5

Activity (Go SEA)

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