UCSF

ZINC35017369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 3.73 12.41 -41.48 1 9 -1 129 454.484 9
Mid Mid (pH 6-8) 4.48 13.51 -18.16 2 9 0 122 455.492 10

Activity (Go SEA)

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