UCSF

ZINC37139931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.13 5.71 -13.32 2 5 0 59 281.363 2
Mid Mid (pH 6-8) 2.13 6.15 -31.14 3 5 1 60 282.371 2

Activity (Go SEA)

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