UCSF

ZINC33751819

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 26 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) 1.62 4.22 -120 2 6 -2 121 362.422 3
Lo Low (pH 4.5-6) 1.62 2.79 -60.78 3 6 -1 118 363.43 3

Activity (Go SEA)

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