UCSF

ZINC34994941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.07 4.91 -61.66 2 6 1 75 345.217 6
Hi High (pH 8-9.5) 2.07 3.55 -9.61 1 6 0 70 344.209 6
Lo Low (pH 4.5-6) 2.07 5.81 -47.36 2 6 1 72 345.217 6

Activity (Go SEA)

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