UCSF

ZINC18125783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 26 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) 3.89 9.61 -8.66 1 4 0 49 351.494 4
Mid Mid (pH 6-8) 3.89 11.43 -49.23 2 4 1 50 352.502 4
Mid Mid (pH 6-8) 4.35 9.24 -41.32 1 4 0 53 351.494 4

Activity (Go SEA)

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