UCSF

ZINC57405919

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 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) 3.53 8.65 -14.03 1 6 0 75 405.907 7
Mid Mid (pH 6-8) 3.99 8.29 -47.8 1 6 0 80 405.907 7

Activity (Go SEA)

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