UCSF

ZINC37094593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.32 7.73 -59.17 0 4 -1 60 240.323 5
Lo Low (pH 4.5-6) 2.32 6.26 -10.87 1 4 0 58 241.331 5

Activity (Go SEA)

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