UCSF

ZINC21819390

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) 2.23 2.89 -12.75 3 5 0 68 332.231 5
Mid Mid (pH 6-8) 2.23 5.22 -46.64 4 5 1 69 333.239 5

Activity (Go SEA)

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