UCSF

ZINC45068459

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 2.32 6.25 -105.61 5 4 2 61 279.428 6
Hi High (pH 8-9.5) 2.32 5.69 -34.79 4 4 1 60 278.42 6

Activity (Go SEA)

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