UCSF

ZINC29709416

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 26 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) 3.93 9.31 -40.39 1 4 1 38 376.521 5
Mid Mid (pH 6-8) 3.93 7 -8.7 0 4 0 36 375.513 5

Activity (Go SEA)

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