UCSF

ZINC21828059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 3.37 10.58 -30.25 1 7 0 86 376.445 5
Hi High (pH 8-9.5) 3.44 9.66 -56.42 0 7 -1 92 375.437 5

Activity (Go SEA)

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