UCSF

ZINC31772745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 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) -0.60 -0.61 -62.62 2 8 1 119 411.547 7
Hi High (pH 8-9.5) -0.60 -3.14 -24.64 1 8 0 118 410.539 7

Activity (Go SEA)

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