UCSF

ZINC45325196

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 31 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) 4.26 10.47 -99.73 4 5 2 67 457.665 10
Hi High (pH 8-9.5) 4.26 10.1 -83.66 3 5 1 69 456.657 10
Hi High (pH 8-9.5) 4.26 8.74 -38.96 2 5 0 65 455.649 10
Hi High (pH 8-9.5) 4.26 9.12 -44.56 3 5 1 63 456.657 10

Activity (Go SEA)

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