UCSF

ZINC37575568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 3.99 6.96 -41.08 0 3 -1 48 414.098 3
Mid Mid (pH 6-8) 3.99 6.51 -8.94 1 3 0 46 415.106 3

Activity (Go SEA)

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