UCSF

ZINC37820836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.97 2.12 -56.07 4 6 1 86 284.38 4
Mid Mid (pH 6-8) 2.97 2.36 -11.42 3 6 0 85 283.372 4

Activity (Go SEA)

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