UCSF

ZINC55166441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 2.48 6.92 -12.8 2 6 0 85 362.433 8
Mid Mid (pH 6-8) 2.48 7.23 -45.75 3 6 1 87 363.441 8

Activity (Go SEA)

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