UCSF

ZINC25385708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 2.97 6.66 -9.99 1 3 0 32 332.494 5
Mid Mid (pH 6-8) 2.97 9.07 -50.61 2 3 1 34 333.502 5

Activity (Go SEA)

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