UCSF

ZINC59205994

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 24 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) 3.43 4.95 -7.85 1 4 0 56 360.25 7
Hi High (pH 8-9.5) 3.43 5.42 -40.33 0 4 -1 59 359.242 7

Activity (Go SEA)

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