UCSF

ZINC39854022

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 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) 4.43 8.04 -14.09 1 6 0 73 433.302 5
Hi High (pH 8-9.5) 4.43 9.17 -62.2 0 6 -1 76 432.294 5

Activity (Go SEA)

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