UCSF

ZINC44690749

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 0.67 4.32 -37.72 2 4 1 44 238.355 5
Hi High (pH 8-9.5) 0.67 3.86 -6.12 1 4 0 39 237.347 5
Lo Low (pH 4.5-6) 0.67 4.48 -92.09 3 4 2 45 239.363 5

Activity (Go SEA)

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