UCSF

ZINC33551461

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 35 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) 4.90 11.73 -52.09 0 9 -1 128 506.541 7
Lo Low (pH 4.5-6) 4.90 10.91 -17.16 1 9 0 126 507.549 7

Activity (Go SEA)

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