UCSF

ZINC35608473

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) -0.38 -1.69 -21.64 3 7 0 108 265.269 3
Mid Mid (pH 6-8) 0.08 -3.82 -52.66 2 7 -1 111 264.261 3

Activity (Go SEA)

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