UCSF

ZINC35506371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 3.87 9.33 -17.57 2 5 0 79 406.869 4
Hi High (pH 8-9.5) 4.33 8.65 -51.81 1 5 -1 82 405.861 4

Activity (Go SEA)

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