UCSF

ZINC36264501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 3.46 6.99 -53.74 0 6 -1 78 409.915 8
Mid Mid (pH 6-8) 3.46 6.89 -16.13 1 6 0 76 410.923 8

Activity (Go SEA)

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