UCSF

ZINC35104412

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 33 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) 1.29 7.22 -59.99 0 8 -1 105 464.523 7
Lo Low (pH 4.5-6) 1.29 6.34 -18.1 1 8 0 102 465.531 7

Activity (Go SEA)

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