UCSF

ZINC71813689

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2012 23 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) 3.41 4.35 -10.47 2 5 0 80 377.19 3
Hi High (pH 8-9.5) 3.41 5.12 -43.07 1 5 -1 83 376.182 3

Activity (Go SEA)

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