UCSF

ZINC48749110

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 26 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) 3.42 10.62 -63.79 2 4 1 53 354.449 5
Mid Mid (pH 6-8) 3.42 9.26 -9.65 1 4 0 48 353.441 5

Activity (Go SEA)

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