UCSF

ZINC34925924

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 4.94 8.5 -13.12 1 4 0 51 312.756 4
Mid Mid (pH 6-8) 4.94 8.9 -29.6 2 4 1 52 313.764 4

Activity (Go SEA)

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