UCSF

ZINC37856651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.29 1.74 -10.3 1 5 0 70 276.383 2
Mid Mid (pH 6-8) 1.74 -0.39 -41.05 0 5 -1 73 275.375 2

Activity (Go SEA)

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