UCSF

ZINC37054688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.99 2.64 -44.51 4 5 1 77 402.132 5
Hi High (pH 8-9.5) 1.99 0.16 -6.62 3 5 0 75 401.124 5

Activity (Go SEA)

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