UCSF

ZINC37849123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.23 5.79 -119.81 4 4 2 51 314.857 8
Hi High (pH 8-9.5) 2.23 2.17 -5.99 2 4 0 45 312.841 8
Mid Mid (pH 6-8) 2.23 4.5 -37.54 3 4 1 46 313.849 8

Activity (Go SEA)

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