UCSF

ZINC53149557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 4.60 9.84 -54.66 2 2 1 26 308.804 7
Mid Mid (pH 6-8) 4.60 8.48 -6.23 1 2 0 21 307.796 7

Activity (Go SEA)

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