UCSF

ZINC37899558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 14 No

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) 0.99 3.01 -37.26 2 3 1 38 235.76 6
Hi High (pH 8-9.5) 0.99 0.63 -6.74 1 3 0 36 234.752 6

Activity (Go SEA)

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