UCSF

ZINC35010223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 4.73 9.62 -35.53 2 2 1 16 334.286 5
Mid Mid (pH 6-8) 4.73 8.32 -41.93 2 2 1 20 334.286 5

Activity (Go SEA)

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