UCSF

ZINC33495866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 3.68 9.55 -56.08 0 4 -1 74 333.448 6
Lo Low (pH 4.5-6) 3.68 8.42 -16.05 1 4 0 71 334.456 6

Activity (Go SEA)

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