UCSF

ZINC57415714

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 34 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) 3.32 7.35 -10.24 2 8 0 83 464.566 9
Mid Mid (pH 6-8) 3.32 9.6 -42.84 3 8 1 84 465.574 9

Activity (Go SEA)

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