UCSF

ZINC51756258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 16 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) 2.94 7.94 -100.02 3 2 2 21 305.285 4
Mid Mid (pH 6-8) 2.94 5.69 -39.92 2 2 1 20 304.277 4

Activity (Go SEA)

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