UCSF

ZINC34993352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.06 4.08 -10.41 2 4 0 50 264.369 7
Mid Mid (pH 6-8) 2.06 5.27 -36.05 3 4 1 55 265.377 7

Activity (Go SEA)

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