UCSF

ZINC35061439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 2.52 5.16 -38.34 3 4 1 63 252.334 6
Mid Mid (pH 6-8) 2.52 4.26 -9.29 2 4 0 59 251.326 6

Activity (Go SEA)

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