UCSF

ZINC21856320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 35 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) 3.17 9.73 -47.78 2 8 1 71 482.649 6
Mid Mid (pH 6-8) 3.17 9.6 -43.5 2 8 1 71 482.649 6
Mid Mid (pH 6-8) 3.17 7.26 -11.68 1 8 0 70 481.641 6

Activity (Go SEA)

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