UCSF

ZINC21794154

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 5.66 12.05 -38.59 3 6 1 71 430.576 6
Mid Mid (pH 6-8) 5.66 11.8 -33.76 3 6 1 71 430.576 6
Mid Mid (pH 6-8) 5.66 11.61 -14.57 2 6 0 70 429.568 6

Activity (Go SEA)

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