UCSF

ZINC39382326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 27 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) 2.91 4.68 -55.95 2 8 -1 115 402.481 6
Lo Low (pH 4.5-6) 2.91 4.62 -20.59 3 8 0 113 403.489 6

Activity (Go SEA)

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