UCSF

ZINC69773458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

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) 0.36 3.73 -97.89 3 6 2 68 284.404 6
Hi High (pH 8-9.5) 0.36 1.69 -37.74 2 6 1 67 283.396 6

Activity (Go SEA)

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