UCSF

ZINC35633771

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 2.60 5.49 -47.75 2 4 1 54 285.433 7
Hi High (pH 8-9.5) 2.60 4.31 -7.5 1 4 0 49 284.425 7

Activity (Go SEA)

Rings

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