UCSF

ZINC35135496

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) -0.58 4.04 -54.36 0 6 -1 79 232.256 9
Lo Low (pH 4.5-6) -0.58 2.07 -11.64 1 6 0 76 233.264 9

Activity (Go SEA)

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