UCSF

ZINC37852244

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) 1.34 1.59 -49.75 3 5 1 59 315.821 8
Hi High (pH 8-9.5) 1.34 0.24 -6.8 2 5 0 54 314.813 8
Lo Low (pH 4.5-6) 1.34 2.5 -40.64 3 5 1 55 315.821 8

Activity (Go SEA)

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