UCSF

ZINC35486122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 2.55 9.56 -12.83 0 8 0 81 510.562 9
Mid Mid (pH 6-8) 2.55 11.83 -49.12 1 8 1 83 511.57 9

Activity (Go SEA)

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