UCSF

ZINC22358316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 36 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) 4.19 9.55 -47.46 0 8 -1 103 485.516 9
Mid Mid (pH 6-8) 3.73 11.32 -14.81 1 8 0 100 486.524 9

Activity (Go SEA)

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