UCSF

ZINC31782388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 28 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) 1.08 7.56 -62.22 0 8 -1 92 375.412 4
Lo Low (pH 4.5-6) 0.63 8.36 -23.38 1 8 0 89 376.42 4

Activity (Go SEA)

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