UCSF

ZINC25460935

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.97 11.45 -41.06 2 3 1 34 337.487 6
Mid Mid (pH 6-8) 3.97 9.35 -7.47 1 3 0 32 336.479 6

Activity (Go SEA)

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