UCSF

ZINC26459095

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 30 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) 2.66 7.61 -58.75 0 7 -1 96 410.377 6
Mid Mid (pH 6-8) 2.66 6.8 -15.49 1 7 0 93 411.385 6

Activity (Go SEA)

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