UCSF

ZINC34887900

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 No

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) 5.76 10.51 -48.44 0 6 -1 84 471.508 7
Mid Mid (pH 6-8) 5.31 12.96 -11.84 1 6 0 81 472.516 7

Activity (Go SEA)

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