UCSF

ZINC21788915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.41 4.46 -71.25 2 6 0 91 332.447 7
Mid Mid (pH 6-8) 1.41 4.16 -75.03 1 6 -1 93 331.439 7

Activity (Go SEA)

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