UCSF

ZINC58265901

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 21 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) 3.84 4.93 -8.08 0 4 0 41 351.299 5
Mid Mid (pH 6-8) 3.84 7.14 -43.83 1 4 1 42 352.307 5

Activity (Go SEA)

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