UCSF

ZINC35041729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.94 6.1 -51.09 2 3 1 43 230.234 5
Mid Mid (pH 6-8) 1.94 4.82 -8.29 1 3 0 38 229.226 5

Activity (Go SEA)

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