UCSF

ZINC44688964

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.41 5.41 -35.17 4 3 1 42 218.324 3
Hi High (pH 8-9.5) 2.41 3.07 -2.76 3 3 0 41 217.316 3
Lo Low (pH 4.5-6) 2.41 5.27 -94.99 5 3 2 44 219.332 3

Activity (Go SEA)

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