UCSF

ZINC35277787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 23 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) 3.90 9.49 -42 2 3 1 34 333.452 4
Hi High (pH 8-9.5) 3.90 7.47 -9.54 1 3 0 32 332.444 4

Activity (Go SEA)

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