UCSF

ZINC19500751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 30 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) 3.28 6.17 -13.3 2 7 0 96 408.454 5
Mid Mid (pH 6-8) 3.28 7.16 -59.77 3 7 1 101 409.462 5

Activity (Go SEA)

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