UCSF

ZINC35296632

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 4.58 12.41 -77.56 1 7 0 83 478.589 13
Lo Low (pH 4.5-6) 4.58 11.65 -56.33 2 7 1 81 479.597 13

Activity (Go SEA)

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