UCSF

ZINC35282346

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 30 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) 3.63 10.61 -75.65 1 6 0 74 473.367 8
Lo Low (pH 4.5-6) 3.63 9.86 -56.28 2 6 1 71 474.375 8

Activity (Go SEA)

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