UCSF

ZINC22002818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 32 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) 3.64 8.79 -32.78 4 11 1 142 440.532 9
Mid Mid (pH 6-8) 3.64 6.52 -11.42 3 11 0 140 439.524 9

Activity (Go SEA)

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