UCSF

ZINC36974396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) -0.61 9.02 -64.57 0 6 -1 78 286.311 3
Lo Low (pH 4.5-6) -0.61 9.5 -54.45 1 6 0 80 287.319 3

Activity (Go SEA)

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