UCSF

ZINC57951445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 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) 2.36 7.3 -52.16 0 3 -1 49 219.26 3
Lo Low (pH 4.5-6) 2.36 5.35 -8.63 1 3 0 47 220.268 3

Activity (Go SEA)

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