UCSF

ZINC29919151

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 27 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) 4.10 10.06 -11.62 1 4 0 39 381.907 5
Mid Mid (pH 6-8) 4.10 12.34 -53.25 2 4 1 41 382.915 5

Activity (Go SEA)

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