UCSF

ZINC35305391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 15 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) -0.77 4.28 -37.48 1 6 0 83 213.237 6
Hi High (pH 8-9.5) -0.77 1.99 -45.88 0 6 -1 82 212.229 6

Activity (Go SEA)

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