UCSF

ZINC36213989

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.83 1.79 -11.51 2 7 0 80 363.458 9
Mid Mid (pH 6-8) 1.83 4.05 -47.94 3 7 1 81 364.466 9

Activity (Go SEA)

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