UCSF

ZINC29873042

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 24 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) 2.84 6.79 -21.1 2 5 0 75 379.532 7
Hi High (pH 8-9.5) 3.29 5.66 -52.08 1 5 -1 78 378.524 7

Activity (Go SEA)

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