UCSF

ZINC33401609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 28 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) 6.10 11.13 -11.65 0 4 0 38 375.516 6
Ref Reference (pH 7) 6.10 11.43 -9.94 0 4 0 38 375.516 6
Mid Mid (pH 6-8) 6.10 13.71 -40.63 1 4 1 39 376.524 6

Activity (Go SEA)

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