UCSF

ZINC35449373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 29 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) 0.51 8.13 -21.79 0 8 0 80 393.447 4
Mid Mid (pH 6-8) 0.51 10.35 -67.4 1 8 1 82 394.455 4

Activity (Go SEA)

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