UCSF

ZINC35024924

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.48 9.48 -61.6 0 8 -1 101 474.489 8
Lo Low (pH 4.5-6) 3.48 8.73 -17.56 1 8 0 98 475.497 8

Activity (Go SEA)

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