UCSF

ZINC34976168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.00 5.95 -13.57 2 6 0 90 232.243 2
Lo Low (pH 4.5-6) 2.00 6.07 -36.34 3 6 1 91 233.251 2

Activity (Go SEA)

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