UCSF

ZINC20303715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 0.99 4.09 -40.2 3 5 1 59 280.392 7
Mid Mid (pH 6-8) 0.99 2.9 -41.83 3 5 1 62 280.392 7
Mid Mid (pH 6-8) 0.99 5.26 -111.47 4 5 2 63 281.4 7

Activity (Go SEA)

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