UCSF

ZINC35772959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 20 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) 3.43 7.47 -7.39 1 3 0 36 270.376 4
Mid Mid (pH 6-8) 3.43 7.92 -22.28 2 3 1 38 271.384 4

Activity (Go SEA)

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