UCSF

ZINC26176401

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 36 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) 2.74 9.64 -27.26 2 11 0 138 521.507 12
Mid Mid (pH 6-8) 2.74 9.92 -56.63 3 11 1 143 522.515 12

Activity (Go SEA)

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