UCSF

ZINC35723577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 34 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) 5.65 12.71 -15.45 2 6 0 84 491.016 9
Hi High (pH 8-9.5) 5.83 10.81 -42.78 1 6 -1 90 490.008 9

Activity (Go SEA)

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