UCSF

ZINC47958681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 3.36 5.36 -41.09 2 4 1 51 382.731 5
Hi High (pH 8-9.5) 3.36 3.14 -6.89 1 4 0 49 381.723 5
Hi High (pH 8-9.5) 3.36 5.5 -32.01 1 4 0 53 381.723 5

Activity (Go SEA)

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