UCSF

ZINC37835489

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) 0.57 8.52 -52.52 1 6 0 80 281.356 7
Mid Mid (pH 6-8) 0.57 8.11 -56.15 0 6 -1 78 280.348 7
Lo Low (pH 4.5-6) 0.57 6.15 -33.4 2 6 1 77 282.364 7

Activity (Go SEA)

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