UCSF

ZINC35044211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 5.37 10.48 -14.09 1 4 0 45 495.998 9
Mid Mid (pH 6-8) 5.37 12.58 -62.4 2 4 1 46 497.006 9

Activity (Go SEA)

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