UCSF

ZINC35135493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 1.03 6.33 -68.55 0 6 -1 79 286.348 8
Lo Low (pH 4.5-6) 1.03 4.74 -14.36 1 6 0 76 287.356 8

Activity (Go SEA)

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