UCSF

ZINC35023143

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 3.07 10.34 -84.41 3 9 0 126 509.603 13
Lo Low (pH 4.5-6) 3.07 9.44 -60.62 4 9 1 124 510.611 13

Activity (Go SEA)

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