UCSF

ZINC37838874

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.74 2.16 -54.43 0 8 -1 107 307.348 8
Lo Low (pH 4.5-6) -0.74 4.3 -80.34 1 8 0 108 308.356 8

Activity (Go SEA)

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