UCSF

ZINC39964029

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 36 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) 4.91 15.32 -16.14 1 7 0 76 494.473 8
Mid Mid (pH 6-8) 4.91 15.79 -41.11 2 7 1 78 495.481 8

Activity (Go SEA)

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