UCSF

ZINC35017320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

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) 3.12 12.79 -20.15 2 10 0 129 496.925 10
Mid Mid (pH 6-8) 2.36 11.69 -43.61 1 10 -1 136 495.917 9

Activity (Go SEA)

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