UCSF

ZINC35723623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 32 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) 6.28 12.02 -14.65 2 6 0 84 471.026 11
Hi High (pH 8-9.5) 6.47 10.13 -42.1 1 6 -1 90 470.018 11

Activity (Go SEA)

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