UCSF

ZINC37854794

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) -0.21 -0.83 -46.24 4 5 1 70 281.376 7
Hi High (pH 8-9.5) -0.21 -2.25 -6.6 3 5 0 65 280.368 7
Mid Mid (pH 6-8) -0.21 1.43 -111.55 5 5 2 71 282.384 7

Activity (Go SEA)

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