UCSF

ZINC59474362

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 26 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) 4.26 11.8 -39.87 1 4 1 35 366.51 5
Hi High (pH 8-9.5) 4.26 9.26 -8.99 0 4 0 34 365.502 5

Activity (Go SEA)

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