UCSF

ZINC25385275

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 25 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) 2.16 5.62 -11.3 1 5 0 55 342.439 5
Lo Low (pH 4.5-6) 2.16 8.01 -53.14 2 5 1 56 343.447 5

Activity (Go SEA)

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